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CHEMBLOCK-ZINC01059008

 MMsINC code: MMs00511582
Type: Neutral
Formula: C13H11NO2S
SMILES:   S(=O)(=O)(N)c1cc2Cc3c(-c2cc1)cccc3
InChI:   InChI=1/C13H11NO2S/c14-17(15,16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=34.1856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.302 g/mol  logS: -4.50875  SlogP: 1.90517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363632  Sterimol/B1: 2.95154  Sterimol/B2: 3.04552  Sterimol/B3: 3.62867
  Sterimol/B4: 4.33547  Sterimol/L: 14.034 
 
 Surface and Volume Properties
  Accessible surface: 435.54  Positive charged surface: 220.584  Negative charged surface: 204.345  Volume: 218.625
  Hydrophobic surface: 305.612  Hydrophilic surface: 129.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00511583
CHEMBLOCK-ZINC01059008