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AURORAFEINCHEMIE-ZINC01564490

 MMsINC code: MMs00448550
Type: Neutral
Formula: C10H16N2O2
SMILES:   O=C1N2C(CCC2)C(=O)NC1C(C)C
InChI:   InChI=1/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=91.4685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.25 g/mol  logS: -1.26166  SlogP: 0.1318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210161  Sterimol/B1: 3.45391  Sterimol/B2: 3.71439  Sterimol/B3: 4.1901
  Sterimol/B4: 4.43369  Sterimol/L: 11.2148 
 
 Surface and Volume Properties
  Accessible surface: 375.24  Positive charged surface: 262.594  Negative charged surface: 112.646  Volume: 190.375
  Hydrophobic surface: 246.989  Hydrophilic surface: 128.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.