PUBCHEM-ZINC02556391

MMsINC code: MMs02900470

• Type: Neutral
• Formula: C₁₅H₂₇O₄P
• SMILES: P(OC\C=C(/CC\C=C(/CCC=C(C)C)\C)\C)(O)(O)=O
• InChI: InChI=1/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9+,15-11+

Potential Energy
Epot(MMFF94)=-21.5699 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 302.351 g/mol
• logS: -4.04033
• SlogP: 3.4447
• Reactive groups: 0

Topological Properties

• Globularity: 0.0677167
• Sterimol/B1: 2.47718
• Sterimol/B2: 3.58729
• Sterimol/B3: 5.29896
• Sterimol/B4: 5.49309
• Sterimol/L: 18.6422

Surface and Volume Properties

• Accessible surface: 622.738
• Positive charged surface: 397.437
• Negative charged surface: 225.302
• Volume: 312
• Hydrophobic surface: 425.366
• Hydrophilic surface: 197.372

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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