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NCID-ZINC05706915

 MMsINC code: MMs02487736
Type: Neutral
Formula: C10H15N3O6S
SMILES:   s1cc(nc1NC1OC(CO)C(O)C(O)C1O)C(=O)N
InChI:   InChI=1/C10H15N3O6S/c11-8(18)3-2-20-10(12-3)13-9-7(17)6(16)5(15)4(1-14)19-9/h2,4-7,9,14-17H,1H2,(H2,11,18)(H,12,13)/t4-,5+,6+,7-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=59.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.311 g/mol  logS: -0.4198  SlogP: -2.5462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896536  Sterimol/B1: 2.3334  Sterimol/B2: 4.70689  Sterimol/B3: 4.76018
  Sterimol/B4: 5.53524  Sterimol/L: 13.9826 
 
 Surface and Volume Properties
  Accessible surface: 502.673  Positive charged surface: 328.971  Negative charged surface: 173.702  Volume: 246.5
  Hydrophobic surface: 185.307  Hydrophilic surface: 317.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.