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MMsINC code: MMs00554073

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

Oc1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C20H15NO4/c22-14-11-9-13(10-12-14)21-19(23)17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(24)25/h1-12,22H,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.995 kcal/mol

Physical Properties
Molecular Weight: 333.343 g/mol	logS: -5.3887	SlogP: 4.0097	Reactive groups: 0

Topological Properties
Globularity: 0.146017	Sterimol/B1: 3.29918	Sterimol/B2: 3.36207	Sterimol/B3: 5.28164
Sterimol/B4: 8.8621	Sterimol/L: 14.1263

Surface and Volume Properties
Accessible surface: 557.086	Positive charged surface: 322.225	Negative charged surface: 233.201	Volume: 306.375
Hydrophobic surface: 425.358	Hydrophilic surface: 131.728

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00554074
CHEMBLOCK-ZINC04491984