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ENAMINE-ZINC06550569

 MMsINC code: MMs01671196
Type: Neutral
Formula: C24H22N4
SMILES:   n1nc(N2CCN(CC2)c2ccccc2)c2c(cccc2)c1-c1ccccc1
InChI:   InChI=1/C24H22N4/c1-3-9-19(10-4-1)23-21-13-7-8-14-22(21)24(26-25-23)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-14H,15-18H2

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Potential Energy
Epot(MMFF94)=239.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.468 g/mol  logS: -6.50188  SlogP: 4.6234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480953  Sterimol/B1: 3.28428  Sterimol/B2: 3.30423  Sterimol/B3: 3.88234
  Sterimol/B4: 7.15878  Sterimol/L: 20.1457 
 
 Surface and Volume Properties
  Accessible surface: 641.017  Positive charged surface: 381.037  Negative charged surface: 248.062  Volume: 370.375
  Hydrophobic surface: 587.315  Hydrophilic surface: 53.702
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.