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CHEMBLOCK-ZINC04694103

 MMsINC code: MMs00570089
Type: Neutral
Formula: C25H32N2O2
SMILES:   O(C(CNC(=O)Nc1c2c(ccc1)cccc2)(C)C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C25H32N2O2/c1-24(2,29-25-13-17-10-18(14-25)12-19(11-17)15-25)16-26-23(28)27-22-9-5-7-20-6-3-4-8-21(20)22/h3-9,17-19H,10-16H2,1-2H3,(H2,26,27,28)/t17-,18+,19-,25-

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Potential Energy
Epot(MMFF94)=194.043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.543 g/mol  logS: -6.92961  SlogP: 5.7253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618076  Sterimol/B1: 2.28517  Sterimol/B2: 3.01541  Sterimol/B3: 5.18421
  Sterimol/B4: 7.79729  Sterimol/L: 18.65 
 
 Surface and Volume Properties
  Accessible surface: 657.208  Positive charged surface: 440.897  Negative charged surface: 204.649  Volume: 392.125
  Hydrophobic surface: 581.735  Hydrophilic surface: 75.473
 
 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.