Common name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]formamide
SMILES
C(C)N1C(CCC1)CNC=O
Common name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]formamide
SMILES
C(C)N1C(CCC1)CNC=O
INCHI
InChI=1S/C8H16N2O/c1-2-10-5-3-4-8(10)6-9-7-11/h7-8H,2-6H2,1H3,(H,9,11)/t8-/m0/s1
FORMULA
C8H16N2O
Common name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]formamide
Molecular weight
156.225
clogP
0.668
clogS
-1.278
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00271 | Sulpiride |
|
Antidepressive Agents, Second-Generation; Antipsychotic Agents; Dopamine Antagonists; Antidepressive Agents; Nervous System; Psycholeptics; Benzamides; | Sulpiride is indicated for the treatment of schizophrenia. |
| FDBD00288 | Remoxipride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Remoxipride is an atypical antipsychotic once used for the treatment of schizophrenia. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bmm_ligand_4_175.mol2 | 1bmm | 0.970588 | -6.48 | CC(=O)N1CCC[C@H]1CNC(=O)C | 13 |
| 4hy0_ligand_frag_3.mol2 | 4hy0 | 0.970588 | -6.06 | C(=O)N1C[C@H]2CCC[N@@H+]2CC1 | 11 |
| 4mds_ligand_3_2.mol2 | 4mds | 0.970588 | -6.03 | O=C(NC[C@H]1CCC[N@@H+]1C)C | 11 |
| 4hy4_ligand_frag_4.mol2 | 4hy4 | 0.970588 | -5.93 | C(=O)N1C[C@H]2CCC[N@@H+]2CC1 | 11 |
| 4hy5_ligand_frag_3.mol2 | 4hy5 | 0.970588 | -5.90 | C(=O)N1C[C@H]2CCC[N@@H+]2CC1 | 11 |
| 4lgu_ligand_frag_4.mol2 | 4lgu | 0.970588 | -5.85 | C(=O)N1C[C@H]2CCC[N@@H+]2CC1 | 11 |
185 ,
19
