MMsINC Database Search


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MMsINC code: MMs01741276

Type: Neutral
Formula: C₁₄H₁₄ClO₃P

SMILES:

ClCP(=O)(COc1ccccc1O)c1ccccc1

InChI:

InChI=1/C14H14ClO3P/c15-10-19(17,12-6-2-1-3-7-12)11-18-14-9-5-4-8-13(14)16/h1-9,16H,10-11H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9776 kcal/mol

Physical Properties
Molecular Weight: 296.69 g/mol	logS: -2.58517	SlogP: 2.5432	Reactive groups: 1

Topological Properties
Globularity: 0.115583	Sterimol/B1: 3.22587	Sterimol/B2: 3.65199	Sterimol/B3: 4.28867
Sterimol/B4: 6.3716	Sterimol/L: 14.4606

Surface and Volume Properties
Accessible surface: 504.98	Positive charged surface: 269.613	Negative charged surface: 235.367	Volume: 264
Hydrophobic surface: 381.118	Hydrophilic surface: 123.862

Pharmacophoric Properties
Hydrogen bond donors: 1	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.