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ASINEX-ZINC01378770

 MMsINC code: MMs00251768
Type: Neutral
Formula: C10H8N2O3S
SMILES:   S(C)c1oc(nn1)-c1cc2OCOc2cc1
InChI:   InChI=1/C10H8N2O3S/c1-16-10-12-11-9(15-10)6-2-3-7-8(4-6)14-5-13-7/h2-4H,5H2,1H3

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Potential Energy
Epot(MMFF94)=43.4392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.251 g/mol  logS: -4.93015  SlogP: 2.1872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103597  Sterimol/B1: 2.40935  Sterimol/B2: 2.66236  Sterimol/B3: 3.04158
  Sterimol/B4: 4.49986  Sterimol/L: 15.5596 
 
 Surface and Volume Properties
  Accessible surface: 426.878  Positive charged surface: 231.512  Negative charged surface: 195.365  Volume: 198.25
  Hydrophobic surface: 256.135  Hydrophilic surface: 170.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.