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MAYBRIDGE-ZINC01040206

 MMsINC code: MMs02153626
Type: Neutral
Formula: C20H24F3N3
SMILES:   FC(F)(F)c1nc(nc(c1)-c1cc(cc2c1CCC2(C)C)C(C)(C)C)N
InChI:   InChI=1/C20H24F3N3/c1-18(2,3)11-8-13(12-6-7-19(4,5)14(12)9-11)15-10-16(20(21,22)23)26-17(24)25-15/h8-10H,6-7H2,1-5H3,(H2,24,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.4249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.427 g/mol  logS: -8.62605  SlogP: 5.57737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959392  Sterimol/B1: 2.24452  Sterimol/B2: 3.023  Sterimol/B3: 5.00399
  Sterimol/B4: 9.0577  Sterimol/L: 13.4389 
 
 Surface and Volume Properties
  Accessible surface: 595.758  Positive charged surface: 346.928  Negative charged surface: 243.64  Volume: 340.625
  Hydrophobic surface: 308.411  Hydrophilic surface: 287.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.