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ENAMINE-ZINC00636180

 MMsINC code: MMs01234613
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.7797 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: 0.0666489  Sterimol/B1: 2.32536  Sterimol/B2: 4.305  Sterimol/B3: 5.44075
  Sterimol/B4: 8.22402  Sterimol/L: 17.0962 
 
 Surface and Volume Properties
  Accessible surface: 634.13  Positive charged surface: 328.823  Negative charged surface: 305.307  Volume: 362.25
  Hydrophobic surface: 557.749  Hydrophilic surface: 76.381
 
 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.