MMsINC Database Search


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MMsINC code: MMs03326010

Type: Neutral
Formula: C₁₂H₁₉O₄P

SMILES:

P(OC)(OC)(=O)C(O)(C)c1cc(C)c(cc1)C

InChI:

InChI=1/C12H19O4P/c1-9-6-7-11(8-10(9)2)12(3,13)17(14,15-4)16-5/h6-8,13H,1-5H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2901 kcal/mol

Physical Properties
Molecular Weight: 258.254 g/mol	logS: -2.50775	SlogP: 2.19564	Reactive groups: 0

Topological Properties
Globularity: 0.170776	Sterimol/B1: 3.16776	Sterimol/B2: 3.61973	Sterimol/B3: 4.8929
Sterimol/B4: 5.77144	Sterimol/L: 13.5371

Surface and Volume Properties
Accessible surface: 480.568	Positive charged surface: 340.725	Negative charged surface: 139.842	Volume: 247.875
Hydrophobic surface: 408.727	Hydrophilic surface: 71.841

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.