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CHEMBRIDGE-ZINC04834283

 MMsINC code: MMs00796240
Type: Neutral
Formula: C24H29NO2
SMILES:   O(CC(=O)NCCC12CC3CC(C1)CC(C2)C3)c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H29NO2/c26-23(16-27-22-6-5-20-3-1-2-4-21(20)12-22)25-8-7-24-13-17-9-18(14-24)11-19(10-17)15-24/h1-6,12,17-19H,7-11,13-16H2,(H,25,26)/t17-,18+,19-,24+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.0419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.501 g/mol  logS: -8.34555  SlogP: 4.9413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0274443  Sterimol/B1: 3.62364  Sterimol/B2: 3.625  Sterimol/B3: 4.03036
  Sterimol/B4: 4.32416  Sterimol/L: 21.1413 
 
 Surface and Volume Properties
  Accessible surface: 660.895  Positive charged surface: 445.906  Negative charged surface: 203.918  Volume: 368.125
  Hydrophobic surface: 598.467  Hydrophilic surface: 62.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.