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PUBCHEM-ZINC05379676

 MMsINC code: MMs03252163
Type: Neutral
Formula: C15H15N3
SMILES:   n1nn(c2cc(C)c(cc12)C)Cc1ccccc1
InChI:   InChI=1/C15H15N3/c1-11-8-14-15(9-12(11)2)18(17-16-14)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=63.6378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.306 g/mol  logS: -3.76641  SlogP: 3.36284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104199  Sterimol/B1: 2.47333  Sterimol/B2: 4.45384  Sterimol/B3: 4.62969
  Sterimol/B4: 4.72132  Sterimol/L: 13.4746 
 
 Surface and Volume Properties
  Accessible surface: 470.67  Positive charged surface: 256.004  Negative charged surface: 214.665  Volume: 242.25
  Hydrophobic surface: 399.81  Hydrophilic surface: 70.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.