MMsINC Database Search


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MMsINC code: MMs00046553

Type: Neutral
Formula: C₁₀H₈Cl₄O

SMILES:

ClC1(Cl)CC1COc1ccc(Cl)cc1Cl

InChI:

InChI=1/C10H8Cl4O/c11-7-1-2-9(8(12)3-7)15-5-6-4-10(6,13)14/h1-3,6H,4-5H2/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1454 kcal/mol

Physical Properties
Molecular Weight: 285.985 g/mol	logS: -4.9173	SlogP: 4.9859	Reactive groups: 0

Topological Properties
Globularity: 0.0560065	Sterimol/B1: 2.53632	Sterimol/B2: 2.69106	Sterimol/B3: 4.1895
Sterimol/B4: 6.43199	Sterimol/L: 14.1591

Surface and Volume Properties
Accessible surface: 463.46	Positive charged surface: 134.178	Negative charged surface: 329.282	Volume: 223.875
Hydrophobic surface: 315.456	Hydrophilic surface: 148.004

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.