MMsINC Database Search


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MMsINC code: MMs02358454

Type: Neutral
Formula: C₁₅H₂₅O₄P

SMILES:

P(OCCCC)(OCCCC)(=O)c1ccccc1OC

InChI:

InChI=1/C15H25O4P/c1-4-6-12-18-20(16,19-13-7-5-2)15-11-9-8-10-14(15)17-3/h8-11H,4-7,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.367 kcal/mol

Physical Properties
Molecular Weight: 300.335 g/mol	logS: -3.57402	SlogP: 3.0768	Reactive groups: 0

Topological Properties
Globularity: 0.140208	Sterimol/B1: 2.08655	Sterimol/B2: 3.69194	Sterimol/B3: 5.15834
Sterimol/B4: 11.303	Sterimol/L: 14.4003

Surface and Volume Properties
Accessible surface: 611.874	Positive charged surface: 444.41	Negative charged surface: 167.464	Volume: 304.625
Hydrophobic surface: 534.7	Hydrophilic surface: 77.174

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.