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ENAMINE-ZINC03484873

 MMsINC code: MMs01467843
Type: Neutral
Formula: C24H25NO5
SMILES:   O(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)CC(=O)N(C)C1CCCCC1
InChI:   InChI=1/C24H25NO5/c1-25(20-10-6-3-7-11-20)21(26)16-30-24(29)19-14-12-18(13-15-19)23(28)22(27)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.466 g/mol  logS: -5.70849  SlogP: 3.7001  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0391251  Sterimol/B1: 3.55513  Sterimol/B2: 3.75897  Sterimol/B3: 4.89785
  Sterimol/B4: 7.46132  Sterimol/L: 19.9796 
 
 Surface and Volume Properties
  Accessible surface: 710.117  Positive charged surface: 434.541  Negative charged surface: 275.577  Volume: 395.75
  Hydrophobic surface: 579.562  Hydrophilic surface: 130.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.