Common name
N-[(2S)-2-hydroxypropyl]formamide
IUPAC name
N-[(2S)-2-hydroxypropyl]formamide
SMILES
C(C(O)C)NC=O
Common name
N-[(2S)-2-hydroxypropyl]formamide
IUPAC name
N-[(2S)-2-hydroxypropyl]formamide
SMILES
C(C(O)C)NC=O
INCHI
InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m0/s1
FORMULA
C4H9NO2
Common name
N-[(2S)-2-hydroxypropyl]formamide
IUPAC name
N-[(2S)-2-hydroxypropyl]formamide
Molecular weight
103.120
clogP
-0.511
clogS
-0.072
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00007 | Octreotide |
|
Antineoplastic Agents, Hormonal; Gastrointestinal Agents; Hormone Replacement Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | For treatment of acromegaly and reduction of side effects from cancer chemotherapy. |
| FDBD00923 | Atazanavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. |
| FDBD01486 | Lanreotide |
|
Antineoplastic Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | Lanreotide is a somatostatin analog approved for treatment of neuroendocrine tumours and acromegaly. (2). |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_3_82.mol2 | 2xfi | 1 | -6.10 | N(C=O)C[C@@H](C)O | 7 |
| 2viy_ligand_3_79.mol2 | 2viy | 1 | -6.02 | C[C@@H](O)CNC=O | 7 |
| 1b52_ligand_2_50.mol2 | 1b52 | 1 | -5.97 | [C@@H](O)(C)CNC=O | 7 |
| 2b8l_ligand_3_45.mol2 | 2b8l | 1 | -5.97 | C[C@@H](O)CNC=O | 7 |
| 2b8v_ligand_3_36.mol2 | 2b8v | 1 | -5.93 | N(C=O)C[C@H](O)C | 7 |
| 4x63_ligand_3_31.mol2 | 4x63 | 1 | -5.92 | N(C=O)C[C@H](O)C | 7 |
| 3duy_ligand_3_697.mol2 | 3duy | 1 | -5.88 | C(=O)NC[C@H](C)O | 7 |
| 4oc6_ligand_4_1939.mol2 | 4oc6 | 1 | -5.87 | CN(C=O)C[C@@H](C)O | 8 |
184 ,
19
