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ENAMINE-ZINC00636181

 MMsINC code: MMs01234614
Type: Neutral
Formula: C23H19F2N3O
SMILES:   Fc1ccccc1C(=O)NC(C)c1nc2c(n1Cc1ccc(F)cc1)cccc2
InChI:   InChI=1/C23H19F2N3O/c1-15(26-23(29)18-6-2-3-7-19(18)25)22-27-20-8-4-5-9-21(20)28(22)14-16-10-12-17(24)13-11-16/h2-13,15H,14H2,1H3,(H,26,29)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.5855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.421 g/mol  logS: -6.12951  SlogP: 5.2157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19336  Sterimol/B1: 2.12463  Sterimol/B2: 4.23886  Sterimol/B3: 6.90654
  Sterimol/B4: 7.93459  Sterimol/L: 15.8137 
 
 Surface and Volume Properties
  Accessible surface: 645.522  Positive charged surface: 332.186  Negative charged surface: 313.336  Volume: 364.75
  Hydrophobic surface: 577.677  Hydrophilic surface: 67.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.