MMsINC Database Search


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MMsINC code: MMs03003256

Type: Neutral
Formula: C₁₃H₁₉O₄P

SMILES:

P(OCC)(OCC)(=O)C(=O)CCc1ccccc1

InChI:

InChI=1/C13H19O4P/c1-3-16-18(15,17-4-2)13(14)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2435 kcal/mol

Physical Properties
Molecular Weight: 270.265 g/mol	logS: -2.3644	SlogP: 2.34167	Reactive groups: 0

Topological Properties
Globularity: 0.0596239	Sterimol/B1: 2.11482	Sterimol/B2: 3.34276	Sterimol/B3: 3.73378
Sterimol/B4: 7.87899	Sterimol/L: 16.2271

Surface and Volume Properties
Accessible surface: 541.417	Positive charged surface: 339.306	Negative charged surface: 202.112	Volume: 261.5
Hydrophobic surface: 420.308	Hydrophilic surface: 121.109

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.