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MMsINC code: MMs02657713

Type: Ionized
Formula: C₁₄H₁₁N₂O₃-

SMILES:

O=C(N\C(=C/c1[nH]ccc1)\C(=O)[O-])c1ccccc1

InChI:

InChI=1/C14H12N2O3/c17-13(10-5-2-1-3-6-10)16-12(14(18)19)9-11-7-4-8-15-11/h1-9,15H,(H,16,17)(H,18,19)/p-1/b12-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6385 kcal/mol

Physical Properties
Molecular Weight: 255.253 g/mol	logS: -2.72271	SlogP: 0.5355	Reactive groups: 0

Topological Properties
Globularity: 0.0262137	Sterimol/B1: 2.81302	Sterimol/B2: 2.8643	Sterimol/B3: 3.24999
Sterimol/B4: 5.03194	Sterimol/L: 15.8467

Surface and Volume Properties
Accessible surface: 479.644	Positive charged surface: 215.845	Negative charged surface: 263.799	Volume: 237.625
Hydrophobic surface: 344.308	Hydrophilic surface: 135.336

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

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Parent related molecule:

MMs02657712
PUBCHEM-ZINC00335797