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CHEMBRIDGE-ZINC01113115

 MMsINC code: MMs00662426
Type: Neutral
Formula: C26H34N2O2
SMILES:   O=C(NC1CC(CC(C1)(C)C)(CNC(=O)c1ccccc1C)C)c1ccccc1C
InChI:   InChI=1/C26H34N2O2/c1-18-10-6-8-12-21(18)23(29)27-17-26(5)15-20(14-25(3,4)16-26)28-24(30)22-13-9-7-11-19(22)2/h6-13,20H,14-17H2,1-5H3,(H,27,29)(H,28,30)/t20-,26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.57 g/mol  logS: -6.68378  SlogP: 5.04824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0944479  Sterimol/B1: 2.46895  Sterimol/B2: 5.17106  Sterimol/B3: 5.92416
  Sterimol/B4: 7.47627  Sterimol/L: 17.5392 
 
 Surface and Volume Properties
  Accessible surface: 717.456  Positive charged surface: 455.535  Negative charged surface: 261.921  Volume: 426.125
  Hydrophobic surface: 624.855  Hydrophilic surface: 92.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.