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CHEMDIV-ZINC06858335

 MMsINC code: MMs01047771
Type: Neutral
Formula: C26H32N2O
SMILES:   O=C(NC1CCCCC1)CCc1c2c(n(c1)Cc1cc(ccc1C)C)cccc2
InChI:   InChI=1/C26H32N2O/c1-19-12-13-20(2)22(16-19)18-28-17-21(24-10-6-7-11-25(24)28)14-15-26(29)27-23-8-4-3-5-9-23/h6-7,10-13,16-17,23H,3-5,8-9,14-15,18H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.4762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.555 g/mol  logS: -5.84519  SlogP: 5.95431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403743  Sterimol/B1: 2.76398  Sterimol/B2: 4.65281  Sterimol/B3: 5.67941
  Sterimol/B4: 6.23728  Sterimol/L: 21.1645 
 
 Surface and Volume Properties
  Accessible surface: 718.016  Positive charged surface: 484.959  Negative charged surface: 228.194  Volume: 413.625
  Hydrophobic surface: 660.385  Hydrophilic surface: 57.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.