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NCID-ZINC01642992

 MMsINC code: MMs02284617
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H28N2O3/c1-23(2,3)28-22(27)25-16-10-15-19(25)21(26)24-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19-20H,10,15-16H2,1-3H3,(H,24,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.1593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -4.97632  SlogP: 4.3872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175662  Sterimol/B1: 3.86282  Sterimol/B2: 4.31579  Sterimol/B3: 6.23813
  Sterimol/B4: 7.49673  Sterimol/L: 15.3302 
 
 Surface and Volume Properties
  Accessible surface: 683.296  Positive charged surface: 442.681  Negative charged surface: 240.616  Volume: 387.75
  Hydrophobic surface: 596.785  Hydrophilic surface: 86.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.