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PUBCHEM-ZINC00347870

 MMsINC code: MMs02660725
Type: Neutral
Formula: C9H14N2O2
SMILES:   O=C1NC2(CCCC2)C(=O)NC1C
InChI:   InChI=1/C9H14N2O2/c1-6-7(12)11-9(8(13)10-6)4-2-3-5-9/h6H,2-5H2,1H3,(H,10,13)(H,11,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=71.3232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.223 g/mol  logS: -1.36765  SlogP: -0.0663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163266  Sterimol/B1: 3.23502  Sterimol/B2: 3.5342  Sterimol/B3: 3.95746
  Sterimol/B4: 4.1455  Sterimol/L: 10.9372 
 
 Surface and Volume Properties
  Accessible surface: 361.329  Positive charged surface: 247.886  Negative charged surface: 113.443  Volume: 176.375
  Hydrophobic surface: 234.549  Hydrophilic surface: 126.78
 
 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.