MMsINC Database Search


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MMsINC code: MMs03700801

Type: Neutral
Formula: C₁₅H₂₅O₅P

SMILES:

P(OCC)(OCC)(=O)C(OCC)Cc1ccc(OC)cc1

InChI:

InChI=1/C15H25O5P/c1-5-18-15(21(16,19-6-2)20-7-3)12-13-8-10-14(17-4)11-9-13/h8-11,15H,5-7,12H2,1-4H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0152 kcal/mol

Physical Properties
Molecular Weight: 316.334 g/mol	logS: -2.49613	SlogP: 2.79617	Reactive groups: 0

Topological Properties
Globularity: 0.140042	Sterimol/B1: 2.15772	Sterimol/B2: 2.39763	Sterimol/B3: 6.53991
Sterimol/B4: 7.55906	Sterimol/L: 16.5903

Surface and Volume Properties
Accessible surface: 602.802	Positive charged surface: 434.39	Negative charged surface: 168.412	Volume: 313.625
Hydrophobic surface: 496.832	Hydrophilic surface: 105.97

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.