MMsINC Database Search


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MMsINC code: MMs01084894

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9424 kcal/mol

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

Topological Properties
Globularity: 0.164998	Sterimol/B1: 3.67631	Sterimol/B2: 3.71066	Sterimol/B3: 4.01019
Sterimol/B4: 6.32528	Sterimol/L: 14.8326

Surface and Volume Properties
Accessible surface: 528.374	Positive charged surface: 241.175	Negative charged surface: 287.199	Volume: 273
Hydrophobic surface: 330.75	Hydrophilic surface: 197.624

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.