Common name
N-methyl-3-phenyl-propanamide
IUPAC name
N-methyl-3-phenyl-propanamide
SMILES
C(=O)(NC)CCc1ccccc1
Common name
N-methyl-3-phenyl-propanamide
IUPAC name
N-methyl-3-phenyl-propanamide
SMILES
C(=O)(NC)CCc1ccccc1
INCHI
InChI=1S/C10H13NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
FORMULA
C10H13NO
Common name
N-methyl-3-phenyl-propanamide
IUPAC name
N-methyl-3-phenyl-propanamide
Molecular weight
163.216
clogP
2.060
clogS
-2.828
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00077 | Bortezomib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies. |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4li6_ligand_4_33.mol2 | 4li6 | 1 | -7.30 | C(Cc1ccccc1)C(=O)NC | 12 |
| 4li6_ligand_4_29.mol2 | 4li6 | 1 | -7.26 | C(Cc1ccccc1)C(=O)NC | 12 |
| 1izh_ligand_5_10131.mol2 | 1izh | 1 | -7.09 | N(C(=O)[C@@H](C)Cc1ccccc1)C | 13 |
| 1bdr_ligand_5_1266.mol2 | 1bdr | 1 | -6.98 | CNC(=O)[C@@H](C)Cc1ccccc1 | 13 |
| 4xrq_ligand_3_26.mol2 | 4xrq | 1 | -6.92 | c1(ccccc1)CCC(=O)NC | 12 |
124 ,
13
