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PUBCHEM-ZINC06760991

 MMsINC code: MMs03854271
Type: Neutral
Formula: C11H18N4O5
SMILES:   O1CCN(CC1)C(=O)C(NC(=O)C1NC(=O)NC1)CO
InChI:   InChI=1/C11H18N4O5/c16-6-8(10(18)15-1-3-20-4-2-15)13-9(17)7-5-12-11(19)14-7/h7-8,16H,1-6H2,(H,13,17)(H2,12,14,19)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=66.5134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.288 g/mol  logS: -0.08126  SlogP: -2.9963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10977  Sterimol/B1: 2.50741  Sterimol/B2: 4.17854  Sterimol/B3: 4.74967
  Sterimol/B4: 5.06056  Sterimol/L: 14.9199 
 
 Surface and Volume Properties
  Accessible surface: 498.811  Positive charged surface: 388.779  Negative charged surface: 110.032  Volume: 248.875
  Hydrophobic surface: 263.802  Hydrophilic surface: 235.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.