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APOLLO-ZINC00128959

 MMsINC code: MMs00043279
Type: Neutral
Formula: C10H14N2O3S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(N)cc1
InChI:   InChI=1/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2

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Potential Energy
Epot(MMFF94)=48.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.299 g/mol  logS: -1.3108  SlogP: 0.2897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893864  Sterimol/B1: 2.42122  Sterimol/B2: 2.90839  Sterimol/B3: 3.94245
  Sterimol/B4: 4.82617  Sterimol/L: 12.6582 
 
 Surface and Volume Properties
  Accessible surface: 427.172  Positive charged surface: 291.67  Negative charged surface: 135.502  Volume: 213.375
  Hydrophobic surface: 297.304  Hydrophilic surface: 129.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.