MMsINC Database Search


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MMsINC code: MMs03482041

Type: Neutral
Formula: C₄H₈Cl₃O₄P

SMILES:

ClC(Cl)(Cl)COP(OC)(OC)=O

InChI:

InChI=1/C4H8Cl3O4P/c1-9-12(8,10-2)11-3-4(5,6)7/h3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=2.16416 kcal/mol

Physical Properties
Molecular Weight: 257.437 g/mol	logS: -2.2737	SlogP: 2.1238	Reactive groups: 0

Topological Properties
Globularity: 0.118594	Sterimol/B1: 3.0162	Sterimol/B2: 3.53054	Sterimol/B3: 3.72609
Sterimol/B4: 5.63498	Sterimol/L: 11.9484

Surface and Volume Properties
Accessible surface: 407.069	Positive charged surface: 180.199	Negative charged surface: 226.87	Volume: 182.625
Hydrophobic surface: 178.092	Hydrophilic surface: 228.977

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.