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NCID-ZINC04773031

 MMsINC code: MMs02403204
Type: Neutral
Formula: C9H10N2O3
SMILES:   O=C(NO)/C(=N/O)/Cc1ccccc1
InChI:   InChI=1/C9H10N2O3/c12-9(11-14)8(10-13)6-7-4-2-1-3-5-7/h1-5,13-14H,6H2,(H,11,12)/b10-8-

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Potential Energy
Epot(MMFF94)=92.3237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.19 g/mol  logS: -1.64843  SlogP: 0.56467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138692  Sterimol/B1: 2.85166  Sterimol/B2: 3.59974  Sterimol/B3: 3.67008
  Sterimol/B4: 5.02095  Sterimol/L: 12.8529 
 
 Surface and Volume Properties
  Accessible surface: 397.885  Positive charged surface: 235.58  Negative charged surface: 162.304  Volume: 176.75
  Hydrophobic surface: 211.43  Hydrophilic surface: 186.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.