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ENAMINE-ZINC02384396

 MMsINC code: MMs01250563
Type: Neutral
Formula: C10H10N2O2
SMILES:   o1c2c(cccc2)c(C)c1C(=O)NN
InChI:   InChI=1/C10H10N2O2/c1-6-7-4-2-3-5-8(7)14-9(6)10(13)12-11/h2-5H,11H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=61.385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.202 g/mol  logS: -3.37565  SlogP: 1.34472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0107042  Sterimol/B1: 2.02654  Sterimol/B2: 2.1172  Sterimol/B3: 2.51131
  Sterimol/B4: 6.89583  Sterimol/L: 12.6955 
 
 Surface and Volume Properties
  Accessible surface: 384.507  Positive charged surface: 233.541  Negative charged surface: 145.039  Volume: 179.625
  Hydrophobic surface: 250.537  Hydrophilic surface: 133.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.