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ENAMINE-ZINC06085283

 MMsINC code: MMs01654552
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(C)c1c(cc(cc1OC)C(=O)NCCC(C)C)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C23H26N2O5/c1-14(2)9-10-24-21(26)15-11-16(20(30-4)19(12-15)29-3)13-25-22(27)17-7-5-6-8-18(17)23(25)28/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.2703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -5.50894  SlogP: 3.5423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774685  Sterimol/B1: 3.54814  Sterimol/B2: 3.93377  Sterimol/B3: 4.64593
  Sterimol/B4: 8.35763  Sterimol/L: 19.2602 
 
 Surface and Volume Properties
  Accessible surface: 709.363  Positive charged surface: 496.184  Negative charged surface: 213.179  Volume: 392.75
  Hydrophobic surface: 548.399  Hydrophilic surface: 160.964
 
 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.