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ENAMINE-ZINC01248659

 MMsINC code: MMs01239397
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(C)c1ccccc1N(C(=O)C1CCCCC1)CC1=Cc2c(NC1=O)cccc2
InChI:   InChI=1/C24H26N2O3/c1-29-22-14-8-7-13-21(22)26(24(28)17-9-3-2-4-10-17)16-19-15-18-11-5-6-12-20(18)25-23(19)27/h5-8,11-15,17H,2-4,9-10,16H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.0571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -6.02012  SlogP: 4.6442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182287  Sterimol/B1: 2.12647  Sterimol/B2: 4.61964  Sterimol/B3: 6.31877
  Sterimol/B4: 6.95098  Sterimol/L: 15.723 
 
 Surface and Volume Properties
  Accessible surface: 628.448  Positive charged surface: 429.785  Negative charged surface: 198.662  Volume: 385.75
  Hydrophobic surface: 563.145  Hydrophilic surface: 65.303
 
 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.