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MAYBRIDGE-ZINC00151240

 MMsINC code: MMs02141746
Type: Neutral
Formula: C15H10N4O
SMILES:   o1nc(cc1-c1nc2n(c1)C=CC=N2)-c1ccccc1
InChI:   InChI=1/C15H10N4O/c1-2-5-11(6-3-1)12-9-14(20-18-12)13-10-19-8-4-7-16-15(19)17-13/h1-10H

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Potential Energy
Epot(MMFF94)=72.1641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.272 g/mol  logS: -4.46861  SlogP: 3.3917  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.58899e-07  Sterimol/B1: 2.09735  Sterimol/B2: 2.10035  Sterimol/B3: 3.48471
  Sterimol/B4: 4.40825  Sterimol/L: 17.2058 
 
 Surface and Volume Properties
  Accessible surface: 494.765  Positive charged surface: 263.206  Negative charged surface: 231.559  Volume: 246.875
  Hydrophobic surface: 361.774  Hydrophilic surface: 132.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.