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ENAMINE-ZINC06045532

 MMsINC code: MMs01650165
Type: Neutral
Formula: C23H26N4O4
SMILES:   O1CCN(CC1)c1ccc(NC(=O)CN2C(=O)C(NC2=O)CCc2ccccc2)cc1
InChI:   InChI=1/C23H26N4O4/c28-21(24-18-7-9-19(10-8-18)26-12-14-31-15-13-26)16-27-22(29)20(25-23(27)30)11-6-17-4-2-1-3-5-17/h1-5,7-10,20H,6,11-16H2,(H,24,28)(H,25,30)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.57 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.485 g/mol  logS: -4.28095  SlogP: 2.01487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555919  Sterimol/B1: 2.54882  Sterimol/B2: 3.34633  Sterimol/B3: 4.56167
  Sterimol/B4: 10.0761  Sterimol/L: 18.492 
 
 Surface and Volume Properties
  Accessible surface: 719.661  Positive charged surface: 479.723  Negative charged surface: 239.938  Volume: 401
  Hydrophobic surface: 551.112  Hydrophilic surface: 168.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.