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NCID-ZINC01659433

 MMsINC code: MMs02297068
Type: Neutral
Formula: C26H28N4O
SMILES:   o1c(ccc1-c1ccc(cc1)C=1NCCCCN=1)-c1ccc(cc1)C=1NCCCCN=1
InChI:   InChI=1/C26H28N4O/c1-2-16-28-25(27-15-1)21-9-5-19(6-10-21)23-13-14-24(31-23)20-7-11-22(12-8-20)26-29-17-3-4-18-30-26/h5-14H,1-4,15-18H2,(H,27,28)(H,29,30)

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Potential Energy
Epot(MMFF94)=98.6206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.537 g/mol  logS: -7.36045  SlogP: 4.8736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0113811  Sterimol/B1: 2.83822  Sterimol/B2: 3.24552  Sterimol/B3: 4.30957
  Sterimol/B4: 5.50568  Sterimol/L: 23.408 
 
 Surface and Volume Properties
  Accessible surface: 734.625  Positive charged surface: 530.028  Negative charged surface: 204.597  Volume: 419.625
  Hydrophobic surface: 661.738  Hydrophilic surface: 72.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.