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NANOSIN-ZINC00711859

 MMsINC code: MMs02193000
Type: Neutral
Formula: C8H10N4O2S
SMILES:   S(C)c1nc2N(C)C(=O)NC(=O)c2n1C
InChI:   InChI=1/C8H10N4O2S/c1-11-4-5(9-8(11)15-3)12(2)7(14)10-6(4)13/h1-3H3,(H,10,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-26.8953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.26 g/mol  logS: -2.41746  SlogP: 0.8008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322272  Sterimol/B1: 2.14915  Sterimol/B2: 2.3809  Sterimol/B3: 2.51277
  Sterimol/B4: 7.18511  Sterimol/L: 11.7789 
 
 Surface and Volume Properties
  Accessible surface: 399.731  Positive charged surface: 273.989  Negative charged surface: 125.742  Volume: 194
  Hydrophobic surface: 221.922  Hydrophilic surface: 177.809
 
 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.