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ENAMINE-ZINC03224434

 MMsINC code: MMs01315238
Type: Neutral
Formula: C24H22F3N3O3
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)N(C(C)C)c2ccccc2)=O)ccc1
InChI:   InChI=1/C24H22F3N3O3/c1-16(2)30(19-10-4-3-5-11-19)21(31)15-33-23(32)20-12-7-13-28-22(20)29-18-9-6-8-17(14-18)24(25,26)27/h3-14,16H,15H2,1-2H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.452 g/mol  logS: -6.04146  SlogP: 5.7539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262179  Sterimol/B1: 2.32603  Sterimol/B2: 3.54156  Sterimol/B3: 5.56368
  Sterimol/B4: 8.62622  Sterimol/L: 20.4167 
 
 Surface and Volume Properties
  Accessible surface: 719.568  Positive charged surface: 375.639  Negative charged surface: 343.93  Volume: 405
  Hydrophobic surface: 507.346  Hydrophilic surface: 212.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.