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CHEMDIV-ZINC04969952

MMsINC code: MMs00975507

Type: Neutral
Formula: C23H15F2N3
SMILES:   Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccccc1)-c1ccc(cc1)C
InChI:   InChI=1/C23H15F2N3/c1-14-7-9-17(10-8-14)28-23-18-11-16(24)12-20(25)22(18)26-13-19(23)21(27-28)15-5-3-2-4-6-15/h2-13H,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=133.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.39 g/mol  logS: -7.43307  SlogP: 5.82732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395924  Sterimol/B1: 2.32613  Sterimol/B2: 3.026  Sterimol/B3: 3.21981
  Sterimol/B4: 9.84517  Sterimol/L: 16.259 
 
 Surface and Volume Properties
  Accessible surface: 596.84  Positive charged surface: 307.205  Negative charged surface: 278.84  Volume: 340
  Hydrophobic surface: 561.047  Hydrophilic surface: 35.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0

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Ions/Tautomers related molecules: no related molecules available.