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NCID-ZINC02047969

 MMsINC code: MMs02379935
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1NC(=O)N(CC1C)C(C)C
InChI:   InChI=1/C8H14N2O2/c1-5(2)10-4-6(3)7(11)9-8(10)12/h5-6H,4H2,1-3H3,(H,9,11,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-9.05652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -0.7726  SlogP: 0.5827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175182  Sterimol/B1: 2.55864  Sterimol/B2: 3.51601  Sterimol/B3: 3.68595
  Sterimol/B4: 5.08974  Sterimol/L: 10.6947 
 
 Surface and Volume Properties
  Accessible surface: 356.617  Positive charged surface: 246.474  Negative charged surface: 110.143  Volume: 166.75
  Hydrophobic surface: 201.048  Hydrophilic surface: 155.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.