MMsINC Database Search


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MMsINC code: MMs00459157

Type: Neutral
Formula: C₄H₈Cl₃O₂P

SMILES:

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

InChI:

InChI=1/C4H8Cl3O2P/c1-3-9-10(2,8)4(5,6)7/h3H2,1-2H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.4249 kcal/mol

Physical Properties
Molecular Weight: 225.439 g/mol	logS: -2.14775	SlogP: 2.6082	Reactive groups: 0

Topological Properties
Globularity: 0.161233	Sterimol/B1: 3.69614	Sterimol/B2: 4.0267	Sterimol/B3: 4.22791
Sterimol/B4: 4.5279	Sterimol/L: 11.167

Surface and Volume Properties
Accessible surface: 371.392	Positive charged surface: 138.252	Negative charged surface: 233.141	Volume: 168.5
Hydrophobic surface: 138.252	Hydrophilic surface: 233.14

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.