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PUBCHEM-ZINC01258225

 MMsINC code: MMs02791974
Type: Neutral
Formula: C14H10N2O3
SMILES:   O=C(NO)c1ccccc1-c1cc(N=C=O)ccc1
InChI:   InChI=1/C14H10N2O3/c17-9-15-11-5-3-4-10(8-11)12-6-1-2-7-13(12)14(18)16-19/h1-8,19H,(H,16,18)

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Potential Energy
Epot(MMFF94)=104.68 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.245 g/mol  logS: -3.79708  SlogP: 2.4399  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0821246  Sterimol/B1: 2.53186  Sterimol/B2: 3.24288  Sterimol/B3: 3.48743
  Sterimol/B4: 8.24376  Sterimol/L: 13.8181 
 
 Surface and Volume Properties
  Accessible surface: 458.476  Positive charged surface: 245.8  Negative charged surface: 209.89  Volume: 232.375
  Hydrophobic surface: 264.287  Hydrophilic surface: 194.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.