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NCID-ZINC05551214

 MMsINC code: MMs02474215
Type: Neutral
Formula: C26H29NO
SMILES:   OC1(C(C)C(N(C)C(C1C)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H29NO/c1-19-24(21-13-7-4-8-14-21)27(3)25(22-15-9-5-10-16-22)20(2)26(19,28)23-17-11-6-12-18-23/h4-20,24-25,28H,1-3H3/t19-,20-,24-,25+,26+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.524 g/mol  logS: -5.54551  SlogP: 6.0769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242884  Sterimol/B1: 3.18456  Sterimol/B2: 4.77768  Sterimol/B3: 5.8082
  Sterimol/B4: 7.90643  Sterimol/L: 13.9717 
 
 Surface and Volume Properties
  Accessible surface: 613.801  Positive charged surface: 374.433  Negative charged surface: 239.369  Volume: 389
  Hydrophobic surface: 561.327  Hydrophilic surface: 52.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02474216
NCID-ZINC05551214