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ENAMINE-ZINC05465824

 MMsINC code: MMs01616526
Type: Neutral
Formula: C24H21FN2O3
SMILES:   Fc1ccc(cc1)CCNC(=O)CCCN1C(=O)c2c3c(cccc3ccc2)C1=O
InChI:   InChI=1/C24H21FN2O3/c25-18-11-9-16(10-12-18)13-14-26-21(28)8-3-15-27-23(29)19-6-1-4-17-5-2-7-20(22(17)19)24(27)30/h1-2,4-7,9-12H,3,8,13-15H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.2534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.441 g/mol  logS: -6.19322  SlogP: 3.71397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528294  Sterimol/B1: 2.44011  Sterimol/B2: 3.14743  Sterimol/B3: 4.98567
  Sterimol/B4: 7.23946  Sterimol/L: 21.0692 
 
 Surface and Volume Properties
  Accessible surface: 692.559  Positive charged surface: 391.428  Negative charged surface: 290.06  Volume: 378.75
  Hydrophobic surface: 581.765  Hydrophilic surface: 110.794
 
 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.