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CHEMBLOCK-ZINC01443289

 MMsINC code: MMs00527446
Type: Neutral
Formula: C10H12N2O2S
SMILES:   S(=O)(=O)(CC)c1nc2c(n1C)cccc2
InChI:   InChI=1/C10H12N2O2S/c1-3-15(13,14)10-11-8-6-4-5-7-9(8)12(10)2/h4-7H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=42.7337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.284 g/mol  logS: -2.76823  SlogP: 1.7261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633757  Sterimol/B1: 2.45334  Sterimol/B2: 3.82691  Sterimol/B3: 4.07128
  Sterimol/B4: 4.83637  Sterimol/L: 12.811 
 
 Surface and Volume Properties
  Accessible surface: 411.621  Positive charged surface: 241.112  Negative charged surface: 170.508  Volume: 200.375
  Hydrophobic surface: 313.1  Hydrophilic surface: 98.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.