Common name
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide
SMILES
N1(C(CCC1)CNC=O)C
Common name
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide
SMILES
N1(C(CCC1)CNC=O)C
INCHI
InChI=1S/C7H14N2O/c1-9-4-2-3-7(9)5-8-6-10/h6-7H,2-5H2,1H3,(H,8,10)/t7-/m0/s1
FORMULA
C7H14N2O
Common name
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]formamide
Molecular weight
142.199
clogP
0.332
clogS
-0.862
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01200 | Alizapride |
|
Antiemetics; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; | Alizapride is used in the treatment of nausea and vomiting, including postoperative nausea and vomiting. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o0d_ligand_2_7.mol2 | 1o0d | 1 | -6.14 | C1[N@H+]([C@H](CC1)CNC=O)C | 10 |
| 4mds_ligand_2_10.mol2 | 4mds | 1 | -5.72 | O=CNC[C@H]1CCC[N@@H+]1C | 10 |
| 2bub_ligand_2_18.mol2 | 2bub | 1 | -5.56 | O=CN1[C@@H](CCC1)CNC=O | 11 |
| 1bmm_ligand_4_175.mol2 | 1bmm | 0.941176 | -6.48 | CC(=O)N1CCC[C@H]1CNC(=O)C | 13 |
100 ,
11
