Common name
naphthalene-1-carboxamide
IUPAC name
naphthalene-1-carboxamide
SMILES
O=C(N)c1c2c(ccc1)cccc2
Common name
naphthalene-1-carboxamide
IUPAC name
naphthalene-1-carboxamide
SMILES
O=C(N)c1c2c(ccc1)cccc2
INCHI
InChI=1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)
FORMULA
C11H9NO
Common name
naphthalene-1-carboxamide
IUPAC name
naphthalene-1-carboxamide
Molecular weight
171.195
clogP
2.112
clogS
-2.598
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00472 | Nafcillin |
|
Anti-Bacterial Agents; Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials, Penicillins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the treatment of infections caused by penicillinase-producing staphylococci which have demonstrated susceptibility to the drugs. |
| FDBD02324 | afoxolaner |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b8q_ligand_1_1.mol2 | 3b8q | 1 | -7.90 | C(=O)(N)c1c2c(cccc2)ccc1 | 13 |
| 3b8r_ligand_1_1.mol2 | 3b8r | 1 | -7.82 | c1cc2c(cc1)c(ccc2)C(=O)N | 13 |
| 1bzc_ligand_1_2.mol2 | 1bzc | 1 | -7.53 | c1cccc2c1ccc(c2)C(=O)N | 13 |
| 4tpk_ligand_1_2.mol2 | 4tpk | 1 | -7.21 | c1cccc2cc(ccc12)C(=O)N | 13 |
| 2ot1_ligand_1_0.mol2 | 2ot1 | 1 | -6.98 | c1ccc2cc(ccc2c1)C(=O)N | 13 |
| 1bmq_ligand_1_0.mol2 | 1bmq | 1 | -6.76 | C(=O)(N)c1cc2c(cc1)cccc2 | 13 |
| 1yms_ligand_1_2.mol2 | 1yms | 1 | -6.64 | c1c(c2c(cccc2)cc1)C(=O)N | 13 |
| 1ny0_ligand_1_2.mol2 | 1ny0 | 1 | -6.45 | c1c(c2c(cccc2)cc1)C(=O)N | 13 |
| 3f7i_ligand_1_0.mol2 | 3f7i | 1 | -6.42 | c1(cccc2ccccc12)C(=O)N | 13 |
| 3jyj_ligand_1_4.mol2 | 3jyj | 1 | -6.31 | c1ccc2c(c1)cc(cc2)C(=O)N | 13 |
405 ,
41
