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MMsINC code: MMs02095773

Type: Ionized
Formula: C₁₉H₁₅N₂O₃-

SMILES:

O=C1N(Cc2c1cccc2)C(Cc1c2c([nH]c1)cccc2)C(=O)[O-]

InChI:

InChI=1/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24)/p-1/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.021 kcal/mol

Physical Properties
Molecular Weight: 319.34 g/mol	logS: -3.92298	SlogP: 1.75127	Reactive groups: 0

Topological Properties
Globularity: 0.188412	Sterimol/B1: 2.94147	Sterimol/B2: 3.13718	Sterimol/B3: 5.09265
Sterimol/B4: 7.92854	Sterimol/L: 14.2596

Surface and Volume Properties
Accessible surface: 537.698	Positive charged surface: 286.769	Negative charged surface: 248.334	Volume: 303.125
Hydrophobic surface: 389.493	Hydrophilic surface: 148.205

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02095772
KEYORGANICS-ZINC01385162