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MMsINC code: MMs00599951

Type: Neutral
Formula: C₁₅H₁₃ClO₂

SMILES:

Clc1cc(ccc1C)Cc1ccccc1C(O)=O

InChI:

InChI=1/C15H13ClO2/c1-10-6-7-11(9-14(10)16)8-12-4-2-3-5-13(12)15(17)18/h2-7,9H,8H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.902 kcal/mol

Physical Properties
Molecular Weight: 260.72 g/mol	logS: -4.36542	SlogP: 3.93739	Reactive groups: 0

Topological Properties
Globularity: 0.0939343	Sterimol/B1: 3.6488	Sterimol/B2: 4.46124	Sterimol/B3: 4.56812
Sterimol/B4: 4.71867	Sterimol/L: 13.6843

Surface and Volume Properties
Accessible surface: 469.686	Positive charged surface: 245.144	Negative charged surface: 224.543	Volume: 246
Hydrophobic surface: 384.608	Hydrophilic surface: 85.078

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

MMs00599952
CHEMBRIDGE-ZINC00275145