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ENAMINE-ZINC03358319

 MMsINC code: MMs01394287
Type: Neutral
Formula: C24H22FN3O3
SMILES:   Fc1ccc(-n2c(C)c(cc2C)C(=O)CN2C(=O)C(NC2=O)Cc2ccccc2)cc1
InChI:   InChI=1/C24H22FN3O3/c1-15-12-20(16(2)28(15)19-10-8-18(25)9-11-19)22(29)14-27-23(30)21(26-24(27)31)13-17-6-4-3-5-7-17/h3-12,21H,13-14H2,1-2H3,(H,26,31)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.456 g/mol  logS: -5.04596  SlogP: 3.57901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420474  Sterimol/B1: 2.34942  Sterimol/B2: 3.89198  Sterimol/B3: 4.09252
  Sterimol/B4: 6.58248  Sterimol/L: 21.8331 
 
 Surface and Volume Properties
  Accessible surface: 698.011  Positive charged surface: 383.272  Negative charged surface: 314.739  Volume: 394.5
  Hydrophobic surface: 571.75  Hydrophilic surface: 126.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.