MMsINC Database Search


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MMsINC code: MMs03538115

Type: Neutral
Formula: C₁₂H₅Cl₅O

SMILES:

Clc1c(cc(Cl)c(Cl)c1O)-c1cc(Cl)ccc1Cl

InChI:

InChI=1/C12H5Cl5O/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0563 kcal/mol

Physical Properties
Molecular Weight: 342.436 g/mol	logS: -7.12076	SlogP: 6.3262	Reactive groups: 0

Topological Properties
Globularity: 0.0972176	Sterimol/B1: 3.64607	Sterimol/B2: 3.65941	Sterimol/B3: 4.10543
Sterimol/B4: 4.9972	Sterimol/L: 13.3396

Surface and Volume Properties
Accessible surface: 474.962	Positive charged surface: 124.834	Negative charged surface: 349.075	Volume: 249
Hydrophobic surface: 434.418	Hydrophilic surface: 40.544

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.