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CHEMBLOCK-ZINC04687127

 MMsINC code: MMs00569149
Type: Neutral
Formula: C24H30N2O2
SMILES:   O(CCCNC(=O)Nc1c2c(ccc1)cccc2)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C24H30N2O2/c27-23(26-22-8-3-6-20-5-1-2-7-21(20)22)25-9-4-10-28-24-14-17-11-18(15-24)13-19(12-17)16-24/h1-3,5-8,17-19H,4,9-16H2,(H2,25,26,27)/t17-,18+,19-,24-

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Potential Energy
Epot(MMFF94)=77.724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.516 g/mol  logS: -6.47696  SlogP: 5.3368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277706  Sterimol/B1: 3.31483  Sterimol/B2: 3.76286  Sterimol/B3: 4.05517
  Sterimol/B4: 6.59825  Sterimol/L: 20.8868 
 
 Surface and Volume Properties
  Accessible surface: 670.832  Positive charged surface: 472.9  Negative charged surface: 187.574  Volume: 380.875
  Hydrophobic surface: 610.892  Hydrophilic surface: 59.94
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.