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ENAMINE-ZINC04987855

 MMsINC code: MMs01572854
Type: Neutral
Formula: C24H27NO4
SMILES:   O(C(=O)c1ccccc1C(=O)c1cc(ccc1C)C)CC(=O)N1CCCCC1C
InChI:   InChI=1/C24H27NO4/c1-16-11-12-17(2)21(14-16)23(27)19-9-4-5-10-20(19)24(28)29-15-22(26)25-13-7-6-8-18(25)3/h4-5,9-12,14,18H,6-8,13,15H2,1-3H3/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.483 g/mol  logS: -5.9352  SlogP: 4.09224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132598  Sterimol/B1: 2.14841  Sterimol/B2: 3.83125  Sterimol/B3: 7.60959
  Sterimol/B4: 8.4022  Sterimol/L: 15.2496 
 
 Surface and Volume Properties
  Accessible surface: 676.893  Positive charged surface: 452.074  Negative charged surface: 224.818  Volume: 389.875
  Hydrophobic surface: 602.231  Hydrophilic surface: 74.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.