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ENAMINE-ZINC06084177

 MMsINC code: MMs01653982
Type: Neutral
Formula: C25H30N2O4
SMILES:   O(C(=O)c1ccccc1C(=O)N(Cc1ccccc1)C)CC(=O)NCC1CCCCC1
InChI:   InChI=1/C25H30N2O4/c1-27(17-20-12-6-3-7-13-20)24(29)21-14-8-9-15-22(21)25(30)31-18-23(28)26-16-19-10-4-2-5-11-19/h3,6-9,12-15,19H,2,4-5,10-11,16-18H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.525 g/mol  logS: -5.92159  SlogP: 4.0785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364756  Sterimol/B1: 2.43511  Sterimol/B2: 4.83976  Sterimol/B3: 6.77134
  Sterimol/B4: 6.87834  Sterimol/L: 18.5784 
 
 Surface and Volume Properties
  Accessible surface: 734.993  Positive charged surface: 523.519  Negative charged surface: 211.474  Volume: 424.75
  Hydrophobic surface: 644.843  Hydrophilic surface: 90.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.