Common name
(2S)-N,1-dimethylpyrrolidine-2-carboxamide
IUPAC name
(2S)-N,1-dimethylpyrrolidine-2-carboxamide
SMILES
CNC(=O)C1N(CCC1)C
Common name
(2S)-N,1-dimethylpyrrolidine-2-carboxamide
IUPAC name
(2S)-N,1-dimethylpyrrolidine-2-carboxamide
SMILES
CNC(=O)C1N(CCC1)C
INCHI
InChI=1S/C7H14N2O/c1-8-7(10)6-4-3-5-9(6)2/h6H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
FORMULA
C7H14N2O
Common name
(2S)-N,1-dimethylpyrrolidine-2-carboxamide
IUPAC name
(2S)-N,1-dimethylpyrrolidine-2-carboxamide
Molecular weight
142.199
clogP
0.178
clogS
-0.844
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.34
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01036 | Clindamycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Anti-Acne Preparations; Antibiotics; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Anti-Acne Preparations for Topical Use; Antiinfectives for Treatment of Acne; Macrolides, Lincosamides and Streptogramins; Lincosamides; CYP3A4 Inhibitors; | For the treatment of serious infections caused by susceptible anaerobic bacteria, including Bacteroides spp., Peptostreptococcus, anaerobic streptococci, Clostridium spp., and microaerophilic streptococci. May be useful in polymicrobic infections such as intra-abdominal or pelvic infections, osteomyelitis, diabetic foot ulcers, aspiration pneumonia and dental infections. May also be used to treat MSSA and respiratory infections caused by S. pneumoniae and S. pyogenes in patients who are intolerant to other indicated antibiotics or who are infected with resistant organism. May be used vaginally to treat vaginosis caused by Gardnerella vaginosa. Clindamycin reduces the toxin producing effects of S. aureus and S. pyogenes and as such, may be particularly useful for treating necrotizing fasciitis. May be used topically to treat acne. |
| FDBD01276 | Lincomycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Antibacterials for Intramammary Use; Lincosamides; | Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and . |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b6j_ligand_3_166.mol2 | 1b6j | 1 | -6.17 | [N@H+]1(CCC[C@H]1C(=O)NC)C | 10 |
| 1cpi_ligand_3_202.mol2 | 1cpi | 1 | -6.12 | [N@@H+]1([C@@H](CCC1)C(=O)NC)C | 10 |
| 3i4b_ligand_1_3.mol2 | 3i4b | 1 | -6.05 | C1C[NH2+][C@@H](C1)C(=O)NC | 9 |
| 1b6j_ligand_2_42.mol2 | 1b6j | 1 | -6.03 | [NH2+]1CCC[C@H]1C(=O)NC | 9 |
| 1cpi_ligand_2_50.mol2 | 1cpi | 1 | -5.99 | [NH2+]1[C@@H](CCC1)C(=O)NC | 9 |
| 3i60_ligand_1_3.mol2 | 3i60 | 1 | -5.99 | CNC(=O)[C@@H]1[NH2+]CCC1 | 9 |
| 3i5z_ligand_1_3.mol2 | 3i5z | 1 | -5.96 | CNC(=O)[C@@H]1[NH2+]CCC1 | 9 |
| 5dhg_ligand_3_52.mol2 | 5dhg | 1 | -5.86 | CNC(=O)[C@H]1CCC[N@H+]1C | 10 |
| 5dhg_ligand_2_22.mol2 | 5dhg | 1 | -5.74 | CNC(=O)[C@H]1CCC[NH2+]1 | 9 |
210 ,
22
