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ENAMINE-ZINC07238970

 MMsINC code: MMs01724604
Type: Neutral
Formula: C23H16N2S2
SMILES:   s1c2c(nc1C(=Cc1cc(ccc1)C)c1sc3c(n1)cccc3)cccc2
InChI:   InChI=1/C23H16N2S2/c1-15-7-6-8-16(13-15)14-17(22-24-18-9-2-4-11-20(18)26-22)23-25-19-10-3-5-12-21(19)27-23/h2-14H,1H3

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Potential Energy
Epot(MMFF94)=123.667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.527 g/mol  logS: -6.91743  SlogP: 6.62061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362393  Sterimol/B1: 2.29812  Sterimol/B2: 2.35685  Sterimol/B3: 4.79578
  Sterimol/B4: 10.8336  Sterimol/L: 16.0515 
 
 Surface and Volume Properties
  Accessible surface: 614.213  Positive charged surface: 335.962  Negative charged surface: 278.251  Volume: 360.125
  Hydrophobic surface: 578.94  Hydrophilic surface: 35.273
 
 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.