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NCID-ZINC01646792

 MMsINC code: MMs02287412
Type: Neutral
Formula: C10H10N4O2
SMILES:   O=C1NC(=O)NC(NNc2ccccc2)=C1
InChI:   InChI=1/C10H10N4O2/c15-9-6-8(11-10(16)12-9)14-13-7-4-2-1-3-5-7/h1-6,13H,(H3,11,12,14,15,16)

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Potential Energy
Epot(MMFF94)=12.3891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.216 g/mol  logS: -1.87433  SlogP: 0.2839  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.34503e-07  Sterimol/B1: 2.09729  Sterimol/B2: 2.09871  Sterimol/B3: 3.5477
  Sterimol/B4: 4.4479  Sterimol/L: 13.8475 
 
 Surface and Volume Properties
  Accessible surface: 410.238  Positive charged surface: 217.764  Negative charged surface: 192.474  Volume: 193.375
  Hydrophobic surface: 220.364  Hydrophilic surface: 189.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.