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ENAMINE-ZINC04477353

 MMsINC code: MMs01540465
Type: Neutral
Formula: C23H27N3O4
SMILES:   O(CC)c1ccc(cc1)CN(C(=O)CN1C(=O)C(NC1=O)(CC)c1ccccc1)C
InChI:   InChI=1/C23H27N3O4/c1-4-23(18-9-7-6-8-10-18)21(28)26(22(29)24-23)16-20(27)25(3)15-17-11-13-19(14-12-17)30-5-2/h6-14H,4-5,15-16H2,1-3H3,(H,24,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.4366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -4.54344  SlogP: 3.4789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839449  Sterimol/B1: 2.46583  Sterimol/B2: 3.84592  Sterimol/B3: 6.88534
  Sterimol/B4: 7.46232  Sterimol/L: 20.0555 
 
 Surface and Volume Properties
  Accessible surface: 697.003  Positive charged surface: 451.221  Negative charged surface: 245.782  Volume: 400.875
  Hydrophobic surface: 547.222  Hydrophilic surface: 149.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.