MMsINC Database Search


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MMsINC code: MMs01341139

Type: Neutral
Formula: C₁₅H₂₅O₄P

SMILES:

P(OCC)(OCC)(=O)c1cc(C(C)(C)C)c(O)c(c1)C

InChI:

InChI=1/C15H25O4P/c1-7-18-20(17,19-8-2)12-9-11(3)14(16)13(10-12)15(4,5)6/h9-10,16H,7-8H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3922 kcal/mol

Physical Properties
Molecular Weight: 300.335 g/mol	logS: -3.59431	SlogP: 2.81932	Reactive groups: 0

Topological Properties
Globularity: 0.0893319	Sterimol/B1: 3.56766	Sterimol/B2: 3.66818	Sterimol/B3: 3.91794
Sterimol/B4: 7.63762	Sterimol/L: 14.2269

Surface and Volume Properties
Accessible surface: 572.048	Positive charged surface: 382.887	Negative charged surface: 189.161	Volume: 297.875
Hydrophobic surface: 413.601	Hydrophilic surface: 158.447

Pharmacophoric Properties
Hydrogen bond donors: 1	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.