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CHEMBRIDGE-ZINC04011957

 MMsINC code: MMs00759139
Type: Neutral
Formula: C14H25N2O6P
SMILES:   P(O)(=O)(CN1CCCC1C(OC)=O)CN1CCCC1C(OC)=O
InChI:   InChI=1/C14H25N2O6P/c1-21-13(17)11-5-3-7-15(11)9-23(19,20)10-16-8-4-6-12(16)14(18)22-2/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+

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Potential Energy
Epot(MMFF94)=117.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.336 g/mol  logS: -0.13952  SlogP: -0.6236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460102  Sterimol/B1: 2.06562  Sterimol/B2: 3.15306  Sterimol/B3: 3.24459
  Sterimol/B4: 8.09962  Sterimol/L: 14.7345 
 
 Surface and Volume Properties
  Accessible surface: 600.028  Positive charged surface: 487.934  Negative charged surface: 112.094  Volume: 318.75
  Hydrophobic surface: 501.267  Hydrophilic surface: 98.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs00759140
CHEMBRIDGE-ZINC04011957