MMsINC Database Search


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MMsINC code: MMs03031426

Type: Neutral
Formula: C₅H₉Cl₂O₄P

SMILES:

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

InChI:

InChI=1/C5H9Cl2O4P/c1-3-10-12(8,9-2)11-4-5(6)7/h4H,3H2,1-2H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.37313 kcal/mol

Physical Properties
Molecular Weight: 235.003 g/mol	logS: -1.99601	SlogP: 2.1092	Reactive groups: 0

Topological Properties
Globularity: 0.116162	Sterimol/B1: 2.95848	Sterimol/B2: 3.55835	Sterimol/B3: 4.19836
Sterimol/B4: 5.52418	Sterimol/L: 13.3632

Surface and Volume Properties
Accessible surface: 415.74	Positive charged surface: 194.206	Negative charged surface: 221.534	Volume: 180
Hydrophobic surface: 331.6	Hydrophilic surface: 84.14

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