MMsINC Database Search


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MMsINC code: MMs03421503

Type: Neutral
Formula: C₆H₁₂Cl₃O₄P

SMILES:

ClC(Cl)(Cl)COP(OCC)(OCC)=O

InChI:

InChI=1/C6H12Cl3O4P/c1-3-11-14(10,12-4-2)13-5-6(7,8)9/h3-5H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.40021 kcal/mol

Physical Properties
Molecular Weight: 285.491 g/mol	logS: -2.92812	SlogP: 2.904	Reactive groups: 0

Topological Properties
Globularity: 0.127923	Sterimol/B1: 3.59405	Sterimol/B2: 3.70356	Sterimol/B3: 4.47571
Sterimol/B4: 6.98441	Sterimol/L: 13.5027

Surface and Volume Properties
Accessible surface: 475.293	Positive charged surface: 207.903	Negative charged surface: 267.39	Volume: 219.125
Hydrophobic surface: 204.881	Hydrophilic surface: 270.412

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.