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NANOSIN-ZINC01513488

 MMsINC code: MMs02197815
Type: Neutral
Formula: C26H27N4+
SMILES:   [NH+]1(CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C26H26N4/c1-3-9-21(10-4-1)19-25-23-13-7-8-14-24(23)26(28-27-25)30-17-15-29(16-18-30)20-22-11-5-2-6-12-22/h1-14H,15-20H2/p+1

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Potential Energy
Epot(MMFF94)=140.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.53 g/mol  logS: -5.9822  SlogP: 3.39207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643292  Sterimol/B1: 2.71826  Sterimol/B2: 3.1177  Sterimol/B3: 5.44644
  Sterimol/B4: 7.54856  Sterimol/L: 20.3701 
 
 Surface and Volume Properties
  Accessible surface: 705.195  Positive charged surface: 448.55  Negative charged surface: 248.126  Volume: 413.875
  Hydrophobic surface: 642.461  Hydrophilic surface: 62.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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


MMs02197816
NANOSIN-ZINC01513488