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ENAMINE-ZINC06938271

 MMsINC code: MMs01714121
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C(NC1CC1)C(NC(=O)C)C(C)C
InChI:   InChI=1/C10H18N2O2/c1-6(2)9(11-7(3)13)10(14)12-8-4-5-8/h6,8-9H,4-5H2,1-3H3,(H,11,13)(H,12,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=38.1538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -1.22617  SlogP: 0.4257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127188  Sterimol/B1: 2.52928  Sterimol/B2: 2.55945  Sterimol/B3: 4.35166
  Sterimol/B4: 6.14407  Sterimol/L: 12.8827 
 
 Surface and Volume Properties
  Accessible surface: 435.62  Positive charged surface: 290.362  Negative charged surface: 145.258  Volume: 209.125
  Hydrophobic surface: 282.813  Hydrophilic surface: 152.807
 
 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.