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NCID-ZINC01565789

 MMsINC code: MMs02227267
Type: Neutral
Formula: C24H21N3
SMILES:   n1nc(-c2ccccc2)c(N(C)C)c(c1-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C24H21N3/c1-27(2)24-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)25-26-23(24)20-16-10-5-11-17-20/h3-17H,1-2H3

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Potential Energy
Epot(MMFF94)=233.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.453 g/mol  logS: -7.26371  SlogP: 5.5436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967412  Sterimol/B1: 2.49042  Sterimol/B2: 3.49708  Sterimol/B3: 4.79514
  Sterimol/B4: 7.48626  Sterimol/L: 16.189 
 
 Surface and Volume Properties
  Accessible surface: 591.451  Positive charged surface: 358.25  Negative charged surface: 226.413  Volume: 357.125
  Hydrophobic surface: 551.827  Hydrophilic surface: 39.624
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.