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PUBCHEM-ZINC01352780

 MMsINC code: MMs02798700
Type: Neutral
Formula: C23H24FN3O3
SMILES:   Fc1ccc(NC(=O)N(CC2=Cc3c(NC2=O)cc(cc3)C)CC2OCCC2)cc1
InChI:   InChI=1/C23H24FN3O3/c1-15-4-5-16-12-17(22(28)26-21(16)11-15)13-27(14-20-3-2-10-30-20)23(29)25-19-8-6-18(24)7-9-19/h4-9,11-12,20H,2-3,10,13-14H2,1H3,(H,25,29)(H,26,28)/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=64.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.461 g/mol  logS: -5.42036  SlogP: 4.18272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835686  Sterimol/B1: 3.01253  Sterimol/B2: 4.94419  Sterimol/B3: 6.13062
  Sterimol/B4: 7.4027  Sterimol/L: 17.0281 
 
 Surface and Volume Properties
  Accessible surface: 686.472  Positive charged surface: 438.169  Negative charged surface: 248.302  Volume: 386.5
  Hydrophobic surface: 603.951  Hydrophilic surface: 82.521
 
 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.