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ENAMINE-ZINC04979580

 MMsINC code: MMs01571435
Type: Neutral
Formula: C22H13FN2S2
SMILES:   s1c2c(nc1C(=Cc1ccccc1F)c1sc3c(n1)cccc3)cccc2
InChI:   InChI=1/C22H13FN2S2/c23-16-8-2-1-7-14(16)13-15(21-24-17-9-3-5-11-19(17)26-21)22-25-18-10-4-6-12-20(18)27-22/h1-13H

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Potential Energy
Epot(MMFF94)=126.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.49 g/mol  logS: -6.73849  SlogP: 6.45129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259786  Sterimol/B1: 2.24635  Sterimol/B2: 3.84888  Sterimol/B3: 4.41033
  Sterimol/B4: 8.17458  Sterimol/L: 16.3196 
 
 Surface and Volume Properties
  Accessible surface: 588.747  Positive charged surface: 302.061  Negative charged surface: 286.686  Volume: 346.625
  Hydrophobic surface: 553.333  Hydrophilic surface: 35.414
 
 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.