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CHEMBLOCK-ZINC06645976

 MMsINC code: MMs00581284
Type: Neutral
Formula: C26H27NO
SMILES:   O=C(C(C(N1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H27NO/c28-26(23-17-9-3-10-18-23)24(21-13-5-1-6-14-21)25(22-15-7-2-8-16-22)27-19-11-4-12-20-27/h1-3,5-10,13-18,24-25H,4,11-12,19-20H2/t24-,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.508 g/mol  logS: -5.81366  SlogP: 5.9758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.345573  Sterimol/B1: 2.51363  Sterimol/B2: 5.868  Sterimol/B3: 6.36411
  Sterimol/B4: 8.06966  Sterimol/L: 14.7563 
 
 Surface and Volume Properties
  Accessible surface: 611.791  Positive charged surface: 398.031  Negative charged surface: 213.76  Volume: 385.625
  Hydrophobic surface: 602.237  Hydrophilic surface: 9.5540000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00581285
CHEMBLOCK-ZINC06645976