Common name
naphthalene-2-carboxylic acid
IUPAC name
naphthalene-2-carboxylic acid
SMILES
c1cc2c(cc1)cc(cc2)C(=O)O
Common name
naphthalene-2-carboxylic acid
IUPAC name
naphthalene-2-carboxylic acid
SMILES
c1cc2c(cc1)cc(cc2)C(=O)O
INCHI
InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
FORMULA
C11H8O2
Common name
naphthalene-2-carboxylic acid
IUPAC name
naphthalene-2-carboxylic acid
Molecular weight
172.180
clogP
2.351
clogS
-2.382
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00098 | Adapalene |
|
Anti-Inflammatory Agents, Non-Steroidal; Dermatologic Agents; Anti-Acne Preparations; Dermatologicals; Retinoids for Topical Use in Acne; Anti-Acne Preparations for Topical Use; | For the topical treatment of comedo, papular and pustular acne (acne vulgaris) of the face, chest or back. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fcy_ligand_1_0.mol2 | 1fcy | 1 | -8.68 | C(=O)(O)c1cc2c(cc1)cc(cc2)CO | 15 |
| 1fcx_ligand_1_0.mol2 | 1fcx | 1 | -8.64 | C(=O)(O)c1cc2c(cc1)cc(cc2)CO | 15 |
| 1fcy_ligand_frag_0.mol2 | 1fcy | 1 | -8.59 | C(=O)(O)c1cc2c(cc1)cccc2 | 13 |
| 1fcx_ligand_frag_0.mol2 | 1fcx | 1 | -8.54 | C(=O)(O)c1cc2c(cc1)cccc2 | 13 |
| 1c84_ligand_frag_0.mol2 | 1c84 | 1 | -7.58 | c1ccc2c(c1)ccc(c2)C(=O)O | 13 |
| 1bzj_ligand_frag_1.mol2 | 1bzj | 1 | -7.51 | c1cc2c(cc1)cc(cc2)C(=O)O | 13 |
| 3mks_ligand_frag_1.mol2 | 3mks | 1 | -7.47 | c1c2c(ccc1C(=O)O)cccc2 | 13 |
| 1nny_ligand_frag_12.mol2 | 1nny | 1 | -6.66 | c1cc2c(cc1C(=O)O)cccc2 | 13 |
| 3mks_ligand_frag_0.mol2 | 3mks | 1 | -6.66 | c1cc2c(cc1)cc(cc2)C(=O)O | 13 |
| 4kjv_ligand_frag_1.mol2 | 4kjv | 1 | -6.39 | c1ccc2cc(ccc2c1)C(=O)O | 13 |
259 ,
26
