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ENAMINE-ZINC05437768

 MMsINC code: MMs01612463
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CC(=O)Nc1c(cccc1C)CC)c1ccccc1C(=O)NCc1ccccc1
InChI:   InChI=1/C25H26N2O3/c1-3-20-13-9-10-18(2)24(20)27-23(28)17-30-22-15-8-7-14-21(22)25(29)26-16-19-11-5-4-6-12-19/h4-15H,3,16-17H2,1-2H3,(H,26,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -6.18188  SlogP: 4.77129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991798  Sterimol/B1: 2.42383  Sterimol/B2: 4.29412  Sterimol/B3: 7.50611
  Sterimol/B4: 7.97872  Sterimol/L: 19.523 
 
 Surface and Volume Properties
  Accessible surface: 728.048  Positive charged surface: 440.623  Negative charged surface: 287.425  Volume: 406.875
  Hydrophobic surface: 640.047  Hydrophilic surface: 88.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.