MMsINC Database Search


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MMsINC code: MMs01084893

Type: Neutral
Formula: C₁₁H₁₄Cl₃O₃P

SMILES:

ClCC(OP(=O)(CCl)CCl)COc1ccccc1

InChI:

InChI=1/C11H14Cl3O3P/c12-6-11(17-18(15,8-13)9-14)7-16-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3804 kcal/mol

Physical Properties
Molecular Weight: 331.563 g/mol	logS: -2.90838	SlogP: 3.2899	Reactive groups: 1

Topological Properties
Globularity: 0.118537	Sterimol/B1: 3.59221	Sterimol/B2: 3.94295	Sterimol/B3: 4.45372
Sterimol/B4: 5.29172	Sterimol/L: 14.5624

Surface and Volume Properties
Accessible surface: 520.928	Positive charged surface: 249.864	Negative charged surface: 271.064	Volume: 269.375
Hydrophobic surface: 340.492	Hydrophilic surface: 180.436

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