Common name
propyl carbamate
IUPAC name
propyl carbamate
SMILES
C(CC)OC(=O)N
Common name
propyl carbamate
IUPAC name
propyl carbamate
SMILES
C(CC)OC(=O)N
INCHI
InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
FORMULA
C4H9NO2
Common name
propyl carbamate
IUPAC name
propyl carbamate
Molecular weight
103.120
clogP
-0.414
clogS
-0.333
Frequency
0.0017
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00254 | Meprobamate |
|
Anti-Anxiety Agents; Hypnotics and Sedatives; Anticonvulsants; Muscle Relaxants, Central; Nervous System; Anxiolytics; Psycholeptics; Carbamates; Cytochrome P-450 CYP2C19 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety. |
| FDBD00275 | Carisoprodol |
|
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Inducers; | For the relief of discomfort associated with acute, painful, musculoskeletal conditions. |
| FDBD00804 | Felbamate |
|
Anticonvulsants; Nervous System; Antiepileptics; Cytochrome P-450 CYP2C19 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For use only in those patients who respond inadequately to alternative treatments and whose epilepsy is so severe that a substantial risk of aplastic anemia and/or liver failure is deemed acceptable in light of the benefits conferred by its use. |
| FDBD00951 | Capecitabine |
|
Antineoplastic Agents; Immunosuppressive Agents; Antimetabolites; Antimetabolites, Antineoplastic; Prodrugs; Antineoplastic and Immunomodulating Agents; Pyrimidine Analogues; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of patients with metastatic breast cancer resistant to both paclitaxel and an anthracycline-containing chemotherapy regimen. May also be used in combination with docetaxel for the treatment of metastatic breast cancer in patients who have failed to respond to, or recurred or relasped during or following anthracycline-containing chemotherapy. Capecitabine is used alone as an adjuvant therapy following the complete resection of primary tumor in patients with stage III colon cancer when monotherapy with fluroprymidine is preferred. The use or capecitabine in combination regimens for advanced gastric cancer is currently being investigated. |
| FDBD03038 | propamocarb |
|
Fungicide | Fungicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_2_46.mol2 | 1yt7 | 1 | -6.63 | C(C(C)(C)C)OC(=O)N | 9 |
| 2aux_ligand_2_27.mol2 | 2aux | 1 | -6.27 | NC(=O)OCC(C)C | 8 |
| 4r1y_ligand_3_185.mol2 | 4r1y | 1 | -5.73 | C(OC(=O)N)CC | 7 |
| 2a4r_ligand_2_0.mol2 | 2a4r | 1 | -5.45 | C(OC(=O)N)C(C)C | 8 |
| 2a4g_ligand_2_0.mol2 | 2a4g | 1 | -5.42 | C(=O)(OCC(C)C)N | 8 |
| 2fs8_ligand_2_0.mol2 | 2fs8 | 1 | -5.36 | C(=O)(OCCC)N | 7 |
| 1w10_ligand_2_65.mol2 | 1w10 | 1 | -5.35 | C(C)(C)COC(=O)N | 8 |
| 2f9v_ligand_2_0.mol2 | 2f9v | 1 | -5.35 | C(OC(=O)N)C(C)C | 8 |
100 ,
11
