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MMsINC code: MMs01112769

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₂

SMILES:

Clc1c(cccc1Cl)C(Oc1ccc(cc1)CC)=O

InChI:

InChI=1/C15H12Cl2O2/c1-2-10-6-8-11(9-7-10)19-15(18)12-4-3-5-13(16)14(12)17/h3-9H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6318 kcal/mol

Physical Properties
Molecular Weight: 295.165 g/mol	logS: -5.95666	SlogP: 4.77497	Reactive groups: 0

Topological Properties
Globularity: 0.0474804	Sterimol/B1: 2.63785	Sterimol/B2: 3.37617	Sterimol/B3: 3.96826
Sterimol/B4: 5.1571	Sterimol/L: 16.5868

Surface and Volume Properties
Accessible surface: 507.475	Positive charged surface: 242.608	Negative charged surface: 264.867	Volume: 262.375
Hydrophobic surface: 463.686	Hydrophilic surface: 43.789

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.