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AURORAFEINCHEMIE-ZINC05510507

 MMsINC code: MMs00475942
Type: Neutral
Formula: C10H8N2O3
SMILES:   OC=1c2c(N(C)C(=O)C=1N=O)cccc2
InChI:   InChI=1/C10H8N2O3/c1-12-7-5-3-2-4-6(7)9(13)8(11-15)10(12)14/h2-5,13H,1H3

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Potential Energy
Epot(MMFF94)=71.1026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.185 g/mol  logS: -2.27625  SlogP: 1.656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014748  Sterimol/B1: 1.969  Sterimol/B2: 2.09415  Sterimol/B3: 2.51175
  Sterimol/B4: 7.4074  Sterimol/L: 11.2932 
 
 Surface and Volume Properties
  Accessible surface: 362.046  Positive charged surface: 205.912  Negative charged surface: 156.134  Volume: 176.5
  Hydrophobic surface: 280.742  Hydrophilic surface: 81.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.