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AURORAFEINCHEMIE-ZINC00161238

 MMsINC code: MMs00446024
Type: Neutral
Formula: C10H14N2O2
SMILES:   O=C1N2C(CCC2)C(=O)N2C1CCC2
InChI:   InChI=1/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=70.7234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.234 g/mol  logS: -0.9773  SlogP: -0.018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101282  Sterimol/B1: 2.58169  Sterimol/B2: 3.42893  Sterimol/B3: 4.29528
  Sterimol/B4: 4.44325  Sterimol/L: 11.0572 
 
 Surface and Volume Properties
  Accessible surface: 378.05  Positive charged surface: 290.051  Negative charged surface: 87.9988  Volume: 186.625
  Hydrophobic surface: 307.428  Hydrophilic surface: 70.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.