MMsINC Database Search


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MMsINC code: MMs02861397

Type: Neutral
Formula: C₁₃H₁₉O₅P

SMILES:

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

InChI:

InChI=1/C13H19O5P/c1-4-16-19(15,17-5-2)13(18-11(3)14)12-9-7-6-8-10-12/h6-10,13H,4-5H2,1-3H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2914 kcal/mol

Physical Properties
Molecular Weight: 286.264 g/mol	logS: -2.32996	SlogP: 2.5397	Reactive groups: 0

Topological Properties
Globularity: 0.110244	Sterimol/B1: 2.3672	Sterimol/B2: 3.2092	Sterimol/B3: 3.69308
Sterimol/B4: 10.444	Sterimol/L: 13.9318

Surface and Volume Properties
Accessible surface: 523.478	Positive charged surface: 342.251	Negative charged surface: 181.227	Volume: 268.875
Hydrophobic surface: 433.53	Hydrophilic surface: 89.948

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