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PUBCHEM-ZINC05596359

 MMsINC code: MMs03318405
Type: Neutral
Formula: C11H24NO4P
SMILES:   P(OCC)(=O)(CN(CCCC)CCC(O)=O)C
InChI:   InChI=1/C11H24NO4P/c1-4-6-8-12(9-7-11(13)14)10-17(3,15)16-5-2/h4-10H2,1-3H3,(H,13,14)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=41.4065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.29 g/mol  logS: -0.20938  SlogP: 1.3949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811307  Sterimol/B1: 2.17843  Sterimol/B2: 3.0458  Sterimol/B3: 3.6945
  Sterimol/B4: 10.686  Sterimol/L: 14.0197 
 
 Surface and Volume Properties
  Accessible surface: 534.206  Positive charged surface: 379.311  Negative charged surface: 154.895  Volume: 262.125
  Hydrophobic surface: 343.109  Hydrophilic surface: 191.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03318406
PUBCHEM-ZINC05596359