MMsINC Database Search


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MMsINC code: MMs02323034

Type: Neutral
Formula: C₁₃H₁₀Cl₂O

SMILES:

Clc1ccccc1C(O)c1ccc(Cl)cc1

InChI:

InChI=1/C13H10Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13,16H/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8874 kcal/mol

Physical Properties
Molecular Weight: 253.128 g/mol	logS: -4.39238	SlogP: 4.1706	Reactive groups: 0

Topological Properties
Globularity: 0.181557	Sterimol/B1: 2.5923	Sterimol/B2: 3.3011	Sterimol/B3: 4.6257
Sterimol/B4: 5.75681	Sterimol/L: 12.8045

Surface and Volume Properties
Accessible surface: 432.092	Positive charged surface: 165.55	Negative charged surface: 266.542	Volume: 222.75
Hydrophobic surface: 395.13	Hydrophilic surface: 36.962

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.