MMsINC Database Search


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MMsINC code: MMs02321967

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8281 kcal/mol

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

Topological Properties
Globularity: 0.158798	Sterimol/B1: 2.82343	Sterimol/B2: 5.00659	Sterimol/B3: 5.56645
Sterimol/B4: 5.8347	Sterimol/L: 14.4275

Surface and Volume Properties
Accessible surface: 550.466	Positive charged surface: 333.222	Negative charged surface: 217.244	Volume: 296
Hydrophobic surface: 471.261	Hydrophilic surface: 79.205

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.