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NANOSIN-ZINC03897207

 MMsINC code: MMs02203314
Type: Neutral
Formula: C23H18N4
SMILES:   N(/Nc1ccccc1)=C(\N=Nc1c2c(ccc1)cccc2)/c1ccccc1
InChI:   InChI=1/C23H18N4/c1-3-11-19(12-4-1)23(26-24-20-14-5-2-6-15-20)27-25-22-17-9-13-18-10-7-8-16-21(18)22/h1-17,24H/b26-23-,27-25+

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Potential Energy
Epot(MMFF94)=142.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.425 g/mol  logS: -7.10283  SlogP: 6.3974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00286176  Sterimol/B1: 2.38724  Sterimol/B2: 2.45658  Sterimol/B3: 2.49529
  Sterimol/B4: 10.732  Sterimol/L: 18.1735 
 
 Surface and Volume Properties
  Accessible surface: 629.986  Positive charged surface: 312.867  Negative charged surface: 306.855  Volume: 353.875
  Hydrophobic surface: 600.259  Hydrophilic surface: 29.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.