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ENAMINE-ZINC05798044

 MMsINC code: MMs01640345
Type: Neutral
Formula: C23H26FN3O3
SMILES:   Fc1ccc(cc1)CCNC(=O)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C23H26FN3O3/c1-15(2)17-6-8-18(9-7-17)23(3)21(29)27(22(30)26-23)14-20(28)25-13-12-16-4-10-19(24)11-5-16/h4-11,15H,12-14H2,1-3H3,(H,25,28)(H,26,30)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.3156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.477 g/mol  logS: -5.93088  SlogP: 3.38647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462643  Sterimol/B1: 2.93078  Sterimol/B2: 2.98353  Sterimol/B3: 5.14889
  Sterimol/B4: 5.46394  Sterimol/L: 22.4525 
 
 Surface and Volume Properties
  Accessible surface: 721.017  Positive charged surface: 430.1  Negative charged surface: 290.917  Volume: 394.625
  Hydrophobic surface: 533.743  Hydrophilic surface: 187.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.