MMsINC Database Search


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MMsINC code: MMs00752296

Type: Neutral
Formula: C₁₇H₁₇O₅P

SMILES:

P(=O)(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C

InChI:

InChI=1/C17H17O5P/c1-23(20,12-21-16(18)14-8-4-2-5-9-14)13-22-17(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.943 kcal/mol

Physical Properties
Molecular Weight: 332.292 g/mol	logS: -2.8654	SlogP: 2.5381	Reactive groups: 0

Topological Properties
Globularity: 0.0878431	Sterimol/B1: 2.3493	Sterimol/B2: 3.95304	Sterimol/B3: 4.22238
Sterimol/B4: 5.22368	Sterimol/L: 17.8207

Surface and Volume Properties
Accessible surface: 581.482	Positive charged surface: 337.037	Negative charged surface: 244.445	Volume: 303.125
Hydrophobic surface: 494.6	Hydrophilic surface: 86.882

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.