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MAYBRIDGE-ZINC00079943

 MMsINC code: MMs02128743
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(C)C(=O)NC1CC(C)C
InChI:   InChI=1/C8H14N2O2/c1-5(2)4-6-7(11)10(3)8(12)9-6/h5-6H,4H2,1-3H3,(H,9,12)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.68232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.59391  SlogP: 0.5827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144532  Sterimol/B1: 2.25124  Sterimol/B2: 3.72092  Sterimol/B3: 4.1027
  Sterimol/B4: 4.90498  Sterimol/L: 11.4882 
 
 Surface and Volume Properties
  Accessible surface: 373.647  Positive charged surface: 263.56  Negative charged surface: 110.088  Volume: 168.875
  Hydrophobic surface: 220.314  Hydrophilic surface: 153.333
 
 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.