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NCID-ZINC05046536

 MMsINC code: MMs02432001
Type: Neutral
Formula: C15H14N6
SMILES:   N\1N(N=N/C/1=N/N=C/c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C15H14N6/c1-3-7-13(8-4-1)11-16-17-15-18-20-21(19-15)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,17,19)/b16-11+

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Potential Energy
Epot(MMFF94)=98.8075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.319 g/mol  logS: -3.58036  SlogP: 3.0305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589165  Sterimol/B1: 2.38052  Sterimol/B2: 3.70098  Sterimol/B3: 4.21559
  Sterimol/B4: 5.77936  Sterimol/L: 17.2028 
 
 Surface and Volume Properties
  Accessible surface: 554.044  Positive charged surface: 310.045  Negative charged surface: 243.999  Volume: 270.75
  Hydrophobic surface: 442.727  Hydrophilic surface: 111.317
 
 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.