MMsINC Database Search


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MMsINC code: MMs02985571

Type: Neutral
Formula: C₁₀H₁₅O₄P

SMILES:

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

InChI:

InChI=1/C10H15O4P/c1-10(11,15(12,13-2)14-3)9-7-5-4-6-8-9/h4-8,11H,1-3H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8109 kcal/mol

Physical Properties
Molecular Weight: 230.2 g/mol	logS: -1.55991	SlogP: 1.5788	Reactive groups: 0

Topological Properties
Globularity: 0.195751	Sterimol/B1: 2.11664	Sterimol/B2: 2.9951	Sterimol/B3: 4.25967
Sterimol/B4: 7.16268	Sterimol/L: 12.341

Surface and Volume Properties
Accessible surface: 429.137	Positive charged surface: 298.118	Negative charged surface: 131.019	Volume: 216.125
Hydrophobic surface: 354.149	Hydrophilic surface: 74.988

Pharmacophoric Properties
Hydrogen bond donors: 1	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.