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ENAMINE-ZINC06515429

 MMsINC code: MMs01667484
Type: Neutral
Formula: C23H27N3O5
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C23H27N3O5/c1-23(2,3)26-22(30)25-19(27)15-31-21(29)18(14-16-10-6-4-7-11-16)24-20(28)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,24,28)(H2,25,26,27,30)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.0812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.485 g/mol  logS: -5.15128  SlogP: 2.19517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260247  Sterimol/B1: 2.47688  Sterimol/B2: 4.69562  Sterimol/B3: 5.37226
  Sterimol/B4: 6.61401  Sterimol/L: 21.5307 
 
 Surface and Volume Properties
  Accessible surface: 728.057  Positive charged surface: 454.511  Negative charged surface: 273.546  Volume: 411.125
  Hydrophobic surface: 535.254  Hydrophilic surface: 192.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.