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PUBCHEM-ZINC03157133

 MMsINC code: MMs03002668
Type: Neutral
Formula: C12H29O4P3
SMILES:   P(P(P(OC(C)C)(=O)C)C(C)(C)C)(OC(C)C)(=O)C
InChI:   InChI=1/C12H29O4P3/c1-10(2)15-18(8,13)17(12(5,6)7)19(9,14)16-11(3)4/h10-11H,1-9H3/t18-,19+

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Potential Energy
Epot(MMFF94)=12.5218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.282 g/mol  logS: -1.29861  SlogP: 3.6222  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.207086  Sterimol/B1: 2.17077  Sterimol/B2: 4.67566  Sterimol/B3: 5.62557
  Sterimol/B4: 5.97599  Sterimol/L: 13.914 
 
 Surface and Volume Properties
  Accessible surface: 542.321  Positive charged surface: 353.717  Negative charged surface: 188.603  Volume: 321.625
  Hydrophobic surface: 352.909  Hydrophilic surface: 189.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.