MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03366700

Type: Neutral
Formula: C₁₀H₁₀Cl₄O

SMILES:

ClC(CC(Cl)(Cl)Cl)COc1ccccc1

InChI:

InChI=1/C10H10Cl4O/c11-8(6-10(12,13)14)7-15-9-4-2-1-3-5-9/h1-5,8H,6-7H2/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4091 kcal/mol

Physical Properties
Molecular Weight: 288.001 g/mol	logS: -4.81007	SlogP: 5.2729	Reactive groups: 0

Topological Properties
Globularity: 0.0508466	Sterimol/B1: 3.20411	Sterimol/B2: 3.72673	Sterimol/B3: 3.87853
Sterimol/B4: 4.40234	Sterimol/L: 13.8555

Surface and Volume Properties
Accessible surface: 458.261	Positive charged surface: 155.887	Negative charged surface: 302.374	Volume: 229.75
Hydrophobic surface: 249.042	Hydrophilic surface: 209.219

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.