MMsINC Database Search


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MMsINC code: MMs02865576

Type: Neutral
Formula: C₁₂H₈Cl₂O₂

SMILES:

Clc1cccc(Cl)c1-c1cccc(O)c1O

InChI:

InChI=1/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.646 kcal/mol

Physical Properties
Molecular Weight: 255.1 g/mol	logS: -4.55594	SlogP: 4.0716	Reactive groups: 0

Topological Properties
Globularity: 0.171016	Sterimol/B1: 2.3886	Sterimol/B2: 4.03885	Sterimol/B3: 5.04692
Sterimol/B4: 5.46004	Sterimol/L: 12.1189

Surface and Volume Properties
Accessible surface: 422.155	Positive charged surface: 183.647	Negative charged surface: 238.385	Volume: 214.125
Hydrophobic surface: 338.417	Hydrophilic surface: 83.738

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: no related molecules available.