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MMsINC code: MMs01729557

Type: Ionized
Formula: C₁₈H₁₃N₂O₃-

SMILES:

O=C([O-])c1cc(nc2c1cccc2)-c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C18H14N2O3/c1-11(21)19-13-8-6-12(7-9-13)17-10-15(18(22)23)14-4-2-3-5-16(14)20-17/h2-10H,1H3,(H,19,21)(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6655 kcal/mol

Physical Properties
Molecular Weight: 305.313 g/mol	logS: -4.8079	SlogP: 2.2237	Reactive groups: 0

Topological Properties
Globularity: 0.0147236	Sterimol/B1: 2.54921	Sterimol/B2: 3.21435	Sterimol/B3: 4.35382
Sterimol/B4: 5.81991	Sterimol/L: 17.7545

Surface and Volume Properties
Accessible surface: 542.844	Positive charged surface: 265.996	Negative charged surface: 266.812	Volume: 286.25
Hydrophobic surface: 390.08	Hydrophilic surface: 152.764

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

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:

MMs01729556
IBS-ZINC00081121