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NCID-ZINC01719024

 MMsINC code: MMs02344232
Type: Neutral
Formula: C11H24NO4P
SMILES:   P(OCC)(OCC)(=O)CCCCCNC(=O)C
InChI:   InChI=1/C11H24NO4P/c1-4-15-17(14,16-5-2)10-8-6-7-9-12-11(3)13/h4-10H2,1-3H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=2.78136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.29 g/mol  logS: -1.05104  SlogP: 1.4887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308521  Sterimol/B1: 2.14315  Sterimol/B2: 2.55779  Sterimol/B3: 4.19959
  Sterimol/B4: 7.89555  Sterimol/L: 18.2606 
 
 Surface and Volume Properties
  Accessible surface: 572.377  Positive charged surface: 415.175  Negative charged surface: 157.203  Volume: 268.375
  Hydrophobic surface: 432.139  Hydrophilic surface: 140.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
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Ions/Tautomers related molecules: no related molecules available.