MMsINC Database Search


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MMsINC code: MMs03422701

Type: Neutral
Formula: C₈H₆Cl₄O

SMILES:

Clc1c(Cl)c(OCC)cc(Cl)c1Cl

InChI:

InChI=1/C8H6Cl4O/c1-2-13-5-3-4(9)6(10)8(12)7(5)11/h3H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0424 kcal/mol

Physical Properties
Molecular Weight: 259.947 g/mol	logS: -4.69963	SlogP: 4.6989	Reactive groups: 0

Topological Properties
Globularity: 0.0244257	Sterimol/B1: 2.37579	Sterimol/B2: 2.37665	Sterimol/B3: 4.86342
Sterimol/B4: 5.24073	Sterimol/L: 12.2943

Surface and Volume Properties
Accessible surface: 407.666	Positive charged surface: 139.251	Negative charged surface: 268.415	Volume: 196.125
Hydrophobic surface: 382.417	Hydrophilic surface: 25.249

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.