MMsINC Database Search


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MMsINC code: MMs01290162

Type: Neutral
Formula: C₁₄H₁₁ClO₂

SMILES:

Clc1cc(ccc1)C(=O)Cc1ccccc1O

InChI:

InChI=1/C14H11ClO2/c15-12-6-3-5-10(8-12)14(17)9-11-4-1-2-7-13(11)16/h1-8,16H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0219 kcal/mol

Physical Properties
Molecular Weight: 246.693 g/mol	logS: -3.8915	SlogP: 3.47097	Reactive groups: 0

Topological Properties
Globularity: 0.101286	Sterimol/B1: 2.30475	Sterimol/B2: 3.52726	Sterimol/B3: 4.20182
Sterimol/B4: 4.90163	Sterimol/L: 14.3009

Surface and Volume Properties
Accessible surface: 457.048	Positive charged surface: 215.467	Negative charged surface: 241.58	Volume: 230.125
Hydrophobic surface: 395.023	Hydrophilic surface: 62.025

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.