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MMsINC code: MMs03079008

Type: Neutral
Formula: C₁₂H₂₅O₄P

SMILES:

P(OCCC(CCC\C=C(\CC)/C)C)(O)(O)=O

InChI:

InChI=1/C12H25O4P/c1-4-11(2)7-5-6-8-12(3)9-10-16-17(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H2,13,14,15)/b11-7-/t12-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-41.7686 kcal/mol

Physical Properties
Molecular Weight: 264.302 g/mol	logS: -3.6193	SlogP: 2.5783	Reactive groups: 0

Topological Properties
Globularity: 0.0491305	Sterimol/B1: 2.45876	Sterimol/B2: 2.96652	Sterimol/B3: 3.61866
Sterimol/B4: 6.23651	Sterimol/L: 17.6889

Surface and Volume Properties
Accessible surface: 551.411	Positive charged surface: 365.046	Negative charged surface: 186.365	Volume: 267.5
Hydrophobic surface: 344.218	Hydrophilic surface: 207.193

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03079010
PUBCHEM-ZINC03869881