Responsive image

Common name

2-amino-3-methyl-benzaldehyde

IUPAC name

2-amino-3-methyl-benzaldehyde

SMILES

Nc1c(cccc1C=O)C

Common name

2-amino-3-methyl-benzaldehyde

IUPAC name

2-amino-3-methyl-benzaldehyde

SMILES

Nc1c(cccc1C=O)C

INCHI

InChI=1S/C8H9NO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,9H2,1H3

FORMULA

C8H9NO

Responsive image

Common name

2-amino-3-methyl-benzaldehyde

IUPAC name

2-amino-3-methyl-benzaldehyde





Molecular weight

135.163

clogP

1.723

clogS

-1.888

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

43.09

Number of Rings

1

Rotatable Bond

1

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_2_8.mol2 1fm9 0.896552 -6.81 Nc1ccccc1C=O 9
4mjq_ligand_1_0.mol2 4mjq 0.896552 -5.93 C(=O)c1ccccc1N 9
4o2a_ligand_1_2.mol2 4o2a 0.8 -6.92 C(=O)c1ccc(cc1)N 9
4x0u_ligand_1_0.mol2 4x0u 0.8 -5.88 Nc1ccc(C=O)cc1 9
5e2r_ligand_1_0.mol2 5e2r 0.8 -5.77 c1cc(ccc1C=O)N 9
5cjf_ligand_1_0.mol2 5cjf 0.8 -5.43 c1cc(ccc1C=O)N 9
4x7k_ligand_1_3.mol2 4x7k 0.787879 -7.19 c1(c(cc(cc1)C)N)C=O 10
4o44_ligand_1_8.mol2 4o44 0.758621 -7.67 c1(c(cc(cc1C)C)C)N 10
4o4g_ligand_1_3.mol2 4o4g 0.758621 -7.55 Nc1c(cc(cc1C)C)C 10
164 , 17