MMsINC Database Search


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MMsINC code: MMs00042271

Type: Neutral
Formula: C₁₄H₁₁ClO₂

SMILES:

Clc1ccccc1C(=O)c1ccc(cc1O)C

InChI:

InChI=1/C14H11ClO2/c1-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1016 kcal/mol

Physical Properties
Molecular Weight: 246.693 g/mol	logS: -4.30395	SlogP: 3.58502	Reactive groups: 0

Topological Properties
Globularity: 0.0986992	Sterimol/B1: 2.5511	Sterimol/B2: 3.29176	Sterimol/B3: 4.92715
Sterimol/B4: 5.90058	Sterimol/L: 13.3185

Surface and Volume Properties
Accessible surface: 445.536	Positive charged surface: 221.33	Negative charged surface: 224.206	Volume: 228.125
Hydrophobic surface: 378.313	Hydrophilic surface: 67.223

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.