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CHEMBRIDGE-ZINC02916675

 MMsINC code: MMs00741199
Type: Neutral
Formula: C13H19N3O6
SMILES:   O=C1NC(=O)NC(C)=C1N(CCOC(=O)C)CCOC(=O)C
InChI:   InChI=1/C13H19N3O6/c1-8-11(12(19)15-13(20)14-8)16(4-6-21-9(2)17)5-7-22-10(3)18/h4-7H2,1-3H3,(H2,14,15,19,20)

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Potential Energy
Epot(MMFF94)=46.6257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.31 g/mol  logS: -1.51371  SlogP: -0.5145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204069  Sterimol/B1: 2.9402  Sterimol/B2: 5.03088  Sterimol/B3: 6.25868
  Sterimol/B4: 7.14331  Sterimol/L: 12.6662 
 
 Surface and Volume Properties
  Accessible surface: 534.987  Positive charged surface: 346.645  Negative charged surface: 188.342  Volume: 283.25
  Hydrophobic surface: 313.895  Hydrophilic surface: 221.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.