MMsINC Database Search


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MMsINC code: MMs03538292

Type: Neutral
Formula: C₁₂H₇Cl₃O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1-c1cc(O)c(O)cc1

InChI:

InChI=1/C12H7Cl3O2/c13-7-4-8(14)12(9(15)5-7)6-1-2-10(16)11(17)3-6/h1-5,16-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7462 kcal/mol

Physical Properties
Molecular Weight: 289.545 g/mol	logS: -5.29023	SlogP: 4.725	Reactive groups: 0

Topological Properties
Globularity: 0.0824895	Sterimol/B1: 2.81514	Sterimol/B2: 3.17496	Sterimol/B3: 4.12882
Sterimol/B4: 5.50991	Sterimol/L: 13.9149

Surface and Volume Properties
Accessible surface: 449.434	Positive charged surface: 171.243	Negative charged surface: 277.627	Volume: 227
Hydrophobic surface: 351.852	Hydrophilic surface: 97.582

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.