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ASINEX-ZINC01371547

 MMsINC code: MMs00250441
Type: Neutral
Formula: C24H26FN3O3
SMILES:   Fc1ccc(NC(=O)N(CC2=Cc3c(NC2=O)c(cc(c3)C)C)CC2OCCC2)cc1
InChI:   InChI=1/C24H26FN3O3/c1-15-10-16(2)22-17(11-15)12-18(23(29)27-22)13-28(14-21-4-3-9-31-21)24(30)26-20-7-5-19(25)6-8-20/h5-8,10-12,21H,3-4,9,13-14H2,1-2H3,(H,26,30)(H,27,29)/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=71.0491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.488 g/mol  logS: -5.58083  SlogP: 4.49114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084809  Sterimol/B1: 3.61466  Sterimol/B2: 4.57452  Sterimol/B3: 5.31305
  Sterimol/B4: 8.21773  Sterimol/L: 16.4367 
 
 Surface and Volume Properties
  Accessible surface: 710.255  Positive charged surface: 460.379  Negative charged surface: 249.876  Volume: 404.125
  Hydrophobic surface: 638.449  Hydrophilic surface: 71.806
 
 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.