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ENAMINE-ZINC04950541

 MMsINC code: MMs01569669
Type: Neutral
Formula: C20H15NS
SMILES:   s1c2c(nc1C(c1ccccc1)c1ccccc1)cccc2
InChI:   InChI=1/C20H15NS/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)22-20/h1-14,19H

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Potential Energy
Epot(MMFF94)=115.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.413 g/mol  logS: -5.3472  SlogP: 5.4765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220984  Sterimol/B1: 2.36493  Sterimol/B2: 3.40985  Sterimol/B3: 4.54096
  Sterimol/B4: 9.34312  Sterimol/L: 12.5965 
 
 Surface and Volume Properties
  Accessible surface: 546.724  Positive charged surface: 283.937  Negative charged surface: 262.787  Volume: 297.5
  Hydrophobic surface: 524.825  Hydrophilic surface: 21.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.