Responsive image

Common name

(2-aminophenyl)-phenyl-methanone

IUPAC name

(2-aminophenyl)-phenyl-methanone

SMILES

c1(ccccc1)C(=O)c2c(cccc2)N

Common name

(2-aminophenyl)-phenyl-methanone

IUPAC name

(2-aminophenyl)-phenyl-methanone

SMILES

c1(ccccc1)C(=O)c2c(cccc2)N

INCHI

InChI=1S/C13H11NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,14H2

FORMULA

C13H11NO

Responsive image

Common name

(2-aminophenyl)-phenyl-methanone

IUPAC name

(2-aminophenyl)-phenyl-methanone





Molecular weight

197.233

clogP

2.681

clogS

-3.146

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

43.09

Number of Rings

2

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01494 Nepafenac Responsive image Anti-Inflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal; Prodrugs; Ophthalmologicals; Sensory Organs; For the treatment of pain and inflammation associated with cataract surgery.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1fm9_ligand_3_44.mol2 1fm9 1 -8.82 Nc1ccccc1C(=O)c1ccccc1 15
5e2r_ligand_2_0.mol2 5e2r 0.825 -6.92 c1(ccccc1)C(=O)c1ccc(cc1)N 15
5cjf_ligand_2_0.mol2 5cjf 0.825 -6.59 c1cc(ccc1C(=O)c1ccccc1)N 15
1vru_ligand_2_9.mol2 1vru 0.744186 -7.42 c1(cc(ccc1C(=O)C)C)N 11
4o2a_ligand_2_1.mol2 4o2a 0.725 -7.28 CC(=O)c1ccc(cc1)N 10
1dzp_ligand.mol2 1dzp 0.710526 -8.50 c1cccc(c1)C(=O)c1ccccc1 15
1fm9_ligand_2_8.mol2 1fm9 0.684211 -6.81 Nc1ccccc1C=O 9
4mjq_ligand_1_0.mol2 4mjq 0.684211 -5.93 C(=O)c1ccccc1N 9
4bw3_ligand_2_9.mol2 4bw3 0.657895 -6.29 C(C)(C)(C)c1c(N)cccc1 11
103 , 11