MMsINC Database Search


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MMsINC code: MMs01823387

Type: Neutral
Formula: C₁₅H₂₅O₄P

SMILES:

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

InChI:

InChI=1/C15H25O4P/c1-12(2)10-18-20(17,19-11-13(3)4)15(16)14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1678 kcal/mol

Physical Properties
Molecular Weight: 300.335 g/mol	logS: -2.51897	SlogP: 3.2411	Reactive groups: 0

Topological Properties
Globularity: 0.0952693	Sterimol/B1: 2.30013	Sterimol/B2: 3.53096	Sterimol/B3: 3.89426
Sterimol/B4: 9.02064	Sterimol/L: 15.1579

Surface and Volume Properties
Accessible surface: 562.005	Positive charged surface: 371.898	Negative charged surface: 190.107	Volume: 304.625
Hydrophobic surface: 421.825	Hydrophilic surface: 140.18

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.