MMsINC Database Search


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MMsINC code: MMs02886361

Type: Neutral
Formula: C₁₂H₄Cl₆O

SMILES:

Clc1c(cc(Cl)c(O)c1Cl)-c1ccc(Cl)c(Cl)c1Cl

InChI:

InChI=1/C12H4Cl6O/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)12(19)11(18)9(5)16/h1-3,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6835 kcal/mol

Physical Properties
Molecular Weight: 376.881 g/mol	logS: -7.85505	SlogP: 6.9796	Reactive groups: 0

Topological Properties
Globularity: 0.0922521	Sterimol/B1: 2.79899	Sterimol/B2: 3.374	Sterimol/B3: 4.29706
Sterimol/B4: 5.38822	Sterimol/L: 13.9436

Surface and Volume Properties
Accessible surface: 493.563	Positive charged surface: 113.513	Negative charged surface: 379.2	Volume: 264.125
Hydrophobic surface: 453.255	Hydrophilic surface: 40.308

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.