MMsINC Database Search


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MMsINC code: MMs01741275

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0446 kcal/mol

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

Topological Properties
Globularity: 0.10976	Sterimol/B1: 3.15927	Sterimol/B2: 3.73885	Sterimol/B3: 4.31248
Sterimol/B4: 6.12125	Sterimol/L: 14.6334

Surface and Volume Properties
Accessible surface: 498.231	Positive charged surface: 264.702	Negative charged surface: 233.529	Volume: 266
Hydrophobic surface: 378.28	Hydrophilic surface: 119.951

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.