MMsINC Database Search


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MMsINC code: MMs00021748

Type: Neutral
Formula: C₅H₁₀Cl₃O₃P

SMILES:

ClC(Cl)(Cl)P(OCC)(OCC)=O

InChI:

InChI=1/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.3085 kcal/mol

Physical Properties
Molecular Weight: 255.465 g/mol	logS: -2.72952	SlogP: 2.9299	Reactive groups: 0

Topological Properties
Globularity: 0.161893	Sterimol/B1: 2.49066	Sterimol/B2: 3.76681	Sterimol/B3: 4.03706
Sterimol/B4: 7.14185	Sterimol/L: 10.4861

Surface and Volume Properties
Accessible surface: 423.699	Positive charged surface: 179.836	Negative charged surface: 243.863	Volume: 191.25
Hydrophobic surface: 179.836	Hydrophilic surface: 243.863

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.