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MMsINC code: MMs02823961

Type: Ionized
Formula: C₁₄H₁₁N₂O₃-

SMILES:

O=C(Nc1ccccc1C(=O)[O-])c1ccccc1N

InChI:

InChI=1/C14H12N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2878 kcal/mol

Physical Properties
Molecular Weight: 255.253 g/mol	logS: -3.3056	SlogP: 0.8846	Reactive groups: 0

Topological Properties
Globularity: 0.0316313	Sterimol/B1: 2.20903	Sterimol/B2: 3.34429	Sterimol/B3: 3.45552
Sterimol/B4: 5.89675	Sterimol/L: 14.14

Surface and Volume Properties
Accessible surface: 453.413	Positive charged surface: 238.966	Negative charged surface: 214.448	Volume: 236
Hydrophobic surface: 306.249	Hydrophilic surface: 147.164

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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:

MMs02823960
PUBCHEM-ZINC01845979