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ASINEX-ZINC04231318

 MMsINC code: MMs00320901
Type: Neutral
Formula: C23H27FN4O2
SMILES:   Fc1ccc(NC(=O)N(CC2=Cc3c(NC2=O)cc(cc3)C)CCCN(C)C)cc1
InChI:   InChI=1/C23H27FN4O2/c1-16-5-6-17-14-18(22(29)26-21(17)13-16)15-28(12-4-11-27(2)3)23(30)25-20-9-7-19(24)8-10-20/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,25,30)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.493 g/mol  logS: -4.825  SlogP: 3.95542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887199  Sterimol/B1: 2.90109  Sterimol/B2: 4.47012  Sterimol/B3: 5.02359
  Sterimol/B4: 9.95535  Sterimol/L: 18.1326 
 
 Surface and Volume Properties
  Accessible surface: 718.647  Positive charged surface: 483.444  Negative charged surface: 235.203  Volume: 400
  Hydrophobic surface: 632.466  Hydrophilic surface: 86.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00320902
ASINEX-ZINC04231318