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NCID-ZINC01612947

 MMsINC code: MMs02263153
Type: Neutral
Formula: C10H17N2O7P
SMILES:   P(O)(O)(=O)CC(=O)N1CCNC(=O)C1CC(OCC)=O
InChI:   InChI=1/C10H17N2O7P/c1-2-19-9(14)5-7-10(15)11-3-4-12(7)8(13)6-20(16,17)18/h7H,2-6H2,1H3,(H,11,15)(H2,16,17,18)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=16.88 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.227 g/mol  logS: 0.07369  SlogP: -2.6259  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0987412  Sterimol/B1: 2.74888  Sterimol/B2: 4.12163  Sterimol/B3: 4.28181
  Sterimol/B4: 6.08768  Sterimol/L: 14.0091 
 
 Surface and Volume Properties
  Accessible surface: 493.396  Positive charged surface: 319.807  Negative charged surface: 173.589  Volume: 253.125
  Hydrophobic surface: 242.565  Hydrophilic surface: 250.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.