MMsINC Database Search


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MMsINC code: MMs00455089

Type: Neutral
Formula: C₁₆H₁₅O₅P

SMILES:

P(OC1c2c(cccc2)C(=O)c2c1cccc2)(OC)(OC)=O

InChI:

InChI=1/C16H15O5P/c1-19-22(18,20-2)21-16-13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.146 kcal/mol

Physical Properties
Molecular Weight: 318.265 g/mol	logS: -3.82905	SlogP: 2.7632	Reactive groups: 0

Topological Properties
Globularity: 0.102851	Sterimol/B1: 2.47962	Sterimol/B2: 3.19313	Sterimol/B3: 4.09621
Sterimol/B4: 8.94936	Sterimol/L: 12.544

Surface and Volume Properties
Accessible surface: 513.372	Positive charged surface: 304.987	Negative charged surface: 208.386	Volume: 279
Hydrophobic surface: 427.428	Hydrophilic surface: 85.944

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.