MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03385180

Type: Neutral
Formula: C₈H₁₆Cl₃O₄P

SMILES:

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

InChI:

InChI=1/C8H16Cl3O4P/c1-3-5-14-16(13,15-6-4-2)7(12)8(9,10)11/h7,12H,3-6H2,1-2H3/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.3179 kcal/mol

Physical Properties
Molecular Weight: 313.545 g/mol	logS: -2.75529	SlogP: 3.071	Reactive groups: 0

Topological Properties
Globularity: 0.154613	Sterimol/B1: 3.12494	Sterimol/B2: 3.89048	Sterimol/B3: 4.28923
Sterimol/B4: 9.0572	Sterimol/L: 11.3479

Surface and Volume Properties
Accessible surface: 491.129	Positive charged surface: 251.224	Negative charged surface: 239.905	Volume: 251.125
Hydrophobic surface: 243.118	Hydrophilic surface: 248.011

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.