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KEYORGANICS-ZINC01389532

 MMsINC code: MMs02098643
Type: Neutral
Formula: C9H18N2O2
SMILES:   O=C(NC)C(NC(=O)C)C(C)(C)C
InChI:   InChI=1/C9H18N2O2/c1-6(12)11-7(8(13)10-5)9(2,3)4/h7H,1-5H3,(H,10,13)(H,11,12)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=40.55 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.255 g/mol  logS: -0.87556  SlogP: 0.2832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192792  Sterimol/B1: 2.49127  Sterimol/B2: 3.29878  Sterimol/B3: 3.60142
  Sterimol/B4: 6.00968  Sterimol/L: 11.6258 
 
 Surface and Volume Properties
  Accessible surface: 395.081  Positive charged surface: 285.026  Negative charged surface: 110.055  Volume: 195.625
  Hydrophobic surface: 274.337  Hydrophilic surface: 120.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.