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CHEMBRIDGE-ZINC00218819

 MMsINC code: MMs00596380
Type: Neutral
Formula: C15H10N2S
SMILES:   s1cccc1-c1[nH]c2c(n1)cc1c(c2)cccc1
InChI:   InChI=1/C15H10N2S/c1-2-5-11-9-13-12(8-10(11)4-1)16-15(17-13)14-6-3-7-18-14/h1-9H,(H,16,17)

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Potential Energy
Epot(MMFF94)=41.1908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.325 g/mol  logS: -5.99067  SlogP: 4.4446  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.2822e-07  Sterimol/B1: 2.17757  Sterimol/B2: 2.19243  Sterimol/B3: 3.41469
  Sterimol/B4: 4.61443  Sterimol/L: 15.7361 
 
 Surface and Volume Properties
  Accessible surface: 469.328  Positive charged surface: 223.149  Negative charged surface: 235.108  Volume: 237.375
  Hydrophobic surface: 431.742  Hydrophilic surface: 37.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.