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NANOSIN-ZINC03897518

 MMsINC code: MMs02203379
Type: Neutral
Formula: C19H15N3O2
SMILES:   Oc1cc(O)ccc1\C=N\c1ccc(N=Nc2ccccc2)cc1
InChI:   InChI=1/C19H15N3O2/c23-18-11-6-14(19(24)12-18)13-20-15-7-9-17(10-8-15)22-21-16-4-2-1-3-5-16/h1-13,23-24H/b20-13+,22-21+

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Potential Energy
Epot(MMFF94)=90.4487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.348 g/mol  logS: -4.47852  SlogP: 5.2638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103125  Sterimol/B1: 2.79631  Sterimol/B2: 2.80243  Sterimol/B3: 3.56885
  Sterimol/B4: 4.57622  Sterimol/L: 20.8932 
 
 Surface and Volume Properties
  Accessible surface: 598.657  Positive charged surface: 335.797  Negative charged surface: 262.86  Volume: 304.375
  Hydrophobic surface: 497.335  Hydrophilic surface: 101.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.