MMsINC Database Search


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MMsINC code: MMs03545635

Type: Neutral
Formula: C₁₂H₈Cl₂O₂

SMILES:

Clc1c(O)c(O)c(cc1Cl)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3618 kcal/mol

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

Topological Properties
Globularity: 0.0670021	Sterimol/B1: 2.73683	Sterimol/B2: 3.03575	Sterimol/B3: 3.92473
Sterimol/B4: 5.06749	Sterimol/L: 13.3485

Surface and Volume Properties
Accessible surface: 430.009	Positive charged surface: 177.034	Negative charged surface: 248.188	Volume: 212.625
Hydrophobic surface: 351.947	Hydrophilic surface: 78.062

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.