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MMsINC code: MMs02542895

Type: Neutral
Formula: C₁₅H₁₃ClO₄

SMILES:

Clc1ccccc1OCc1cc(ccc1OC)C(O)=O

InChI:

InChI=1/C15H13ClO4/c1-19-13-7-6-10(15(17)18)8-11(13)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3612 kcal/mol

Physical Properties
Molecular Weight: 292.718 g/mol	logS: -3.95723	SlogP: 3.8922	Reactive groups: 0

Topological Properties
Globularity: 0.0082647	Sterimol/B1: 2.37633	Sterimol/B2: 2.37731	Sterimol/B3: 2.4974
Sterimol/B4: 8.99759	Sterimol/L: 14.1153

Surface and Volume Properties
Accessible surface: 515.737	Positive charged surface: 289.257	Negative charged surface: 226.481	Volume: 263.25
Hydrophobic surface: 413.392	Hydrophilic surface: 102.345

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02542896
OAKWOOD-ZINC00373445