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ENAMINE-ZINC05787467

 MMsINC code: MMs01638634
Type: Neutral
Formula: C23H30N2O4
SMILES:   O(C)c1cc(ccc1OC)/C(=N\NC(=O)COc1ccc(cc1)C(C)(C)C)/CC
InChI:   InChI=1/C23H30N2O4/c1-7-19(16-8-13-20(27-5)21(14-16)28-6)24-25-22(26)15-29-18-11-9-17(10-12-18)23(2,3)4/h8-14H,7,15H2,1-6H3,(H,25,26)/b24-19+

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Potential Energy
Epot(MMFF94)=155.987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.503 g/mol  logS: -6.24324  SlogP: 4.3106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156288  Sterimol/B1: 2.54879  Sterimol/B2: 2.57425  Sterimol/B3: 4.65152
  Sterimol/B4: 9.10746  Sterimol/L: 23.1537 
 
 Surface and Volume Properties
  Accessible surface: 747.421  Positive charged surface: 521.97  Negative charged surface: 225.451  Volume: 405.125
  Hydrophobic surface: 593.384  Hydrophilic surface: 154.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.