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MMsINC code: MMs03070048

Type: Neutral
Formula: C₁₅H₁₃ClO₃

SMILES:

Clc1cc(OCc2ccccc2)ccc1CC(O)=O

InChI:

InChI=1/C15H13ClO3/c16-14-9-13(7-6-12(14)8-15(17)18)19-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6108 kcal/mol

Physical Properties
Molecular Weight: 276.719 g/mol	logS: -3.96832	SlogP: 3.81247	Reactive groups: 0

Topological Properties
Globularity: 0.0626888	Sterimol/B1: 3.29035	Sterimol/B2: 3.36184	Sterimol/B3: 3.43279
Sterimol/B4: 4.79404	Sterimol/L: 16.7435

Surface and Volume Properties
Accessible surface: 506.808	Positive charged surface: 260.183	Negative charged surface: 246.625	Volume: 254.625
Hydrophobic surface: 408.492	Hydrophilic surface: 98.316

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

MMs03070049
PUBCHEM-ZINC03750826