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PUBCHEM-ZINC01532069

 MMsINC code: MMs02813474
Type: Neutral
Formula: C14H15N5O6S
SMILES:   S(=O)(=O)(NC(=O)Nc1nc(nc(OC)n1)C)c1ccccc1C(OC)=O
InChI:   InChI=1/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)

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Potential Energy
Epot(MMFF94)=-43.4058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.369 g/mol  logS: -4.16834  SlogP: 0.48562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150606  Sterimol/B1: 3.11666  Sterimol/B2: 3.31504  Sterimol/B3: 5.6374
  Sterimol/B4: 7.78833  Sterimol/L: 14.3029 
 
 Surface and Volume Properties
  Accessible surface: 587.021  Positive charged surface: 397.067  Negative charged surface: 189.954  Volume: 311.625
  Hydrophobic surface: 387.033  Hydrophilic surface: 199.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.