MMsINC Database Search


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MMsINC code: MMs02864328

Type: Neutral
Formula: C₁₆H₁₇O₅P

SMILES:

P(OC(C(=O)c1ccccc1)c1ccccc1)(OC)(OC)=O

InChI:

InChI=1/C16H17O5P/c1-19-22(18,20-2)21-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,1-2H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1604 kcal/mol

Physical Properties
Molecular Weight: 320.281 g/mol	logS: -3.73309	SlogP: 3.0534	Reactive groups: 0

Topological Properties
Globularity: 0.153057	Sterimol/B1: 2.463	Sterimol/B2: 3.59204	Sterimol/B3: 4.03079
Sterimol/B4: 9.39742	Sterimol/L: 14.3949

Surface and Volume Properties
Accessible surface: 558.181	Positive charged surface: 332.816	Negative charged surface: 225.365	Volume: 296.75
Hydrophobic surface: 488.767	Hydrophilic surface: 69.414

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.