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CHEMBLOCK-ZINC04784136

 MMsINC code: MMs00579692
Type: Neutral
Formula: C10H7N3O2S
SMILES:   S1c2n(c(nn2)C)C(=O)C=C1c1occc1
InChI:   InChI=1/C10H7N3O2S/c1-6-11-12-10-13(6)9(14)5-8(16-10)7-3-2-4-15-7/h2-5H,1H3

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Potential Energy
Epot(MMFF94)=57.9148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.251 g/mol  logS: -3.5241  SlogP: 1.96652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00589585  Sterimol/B1: 2.17583  Sterimol/B2: 2.51207  Sterimol/B3: 2.91881
  Sterimol/B4: 4.8683  Sterimol/L: 13.9198 
 
 Surface and Volume Properties
  Accessible surface: 406.045  Positive charged surface: 180.686  Negative charged surface: 225.359  Volume: 196.625
  Hydrophobic surface: 302.194  Hydrophilic surface: 103.851
 
 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.