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MMsINC code: MMs00497227

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(C(=O)c1ccccc1C(O)=O)Cc1ccccc1

InChI:

InChI=1/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5701 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.50391	SlogP: 3.0082	Reactive groups: 0

Topological Properties
Globularity: 0.0786648	Sterimol/B1: 2.76039	Sterimol/B2: 4.54352	Sterimol/B3: 4.58719
Sterimol/B4: 5.20391	Sterimol/L: 14.1251

Surface and Volume Properties
Accessible surface: 487.108	Positive charged surface: 273.278	Negative charged surface: 213.831	Volume: 240.125
Hydrophobic surface: 372.314	Hydrophilic surface: 114.794

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00497228
CHEMBLOCK-ZINC00097700