MMsINC Database Search


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MMsINC code: MMs02235917

Type: Neutral
Formula: C₈H₄Cl₄O₂

SMILES:

Clc1c(OC(=O)C)c(Cl)cc(Cl)c1Cl

InChI:

InChI=1/C8H4Cl4O2/c1-3(13)14-8-5(10)2-4(9)6(11)7(8)12/h2H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.622 kcal/mol

Physical Properties
Molecular Weight: 273.93 g/mol	logS: -4.67556	SlogP: 4.2255	Reactive groups: 0

Topological Properties
Globularity: 0.0444535	Sterimol/B1: 2.63301	Sterimol/B2: 3.1118	Sterimol/B3: 4.64781
Sterimol/B4: 4.84969	Sterimol/L: 12.1081

Surface and Volume Properties
Accessible surface: 406.833	Positive charged surface: 106.283	Negative charged surface: 300.551	Volume: 193.625
Hydrophobic surface: 373.759	Hydrophilic surface: 33.074

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.