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NCID-ZINC05706913

 MMsINC code: MMs02487733
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)=71.3535 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: 0.0981922  Sterimol/B1: 2.35418  Sterimol/B2: 4.52237  Sterimol/B3: 4.63427
  Sterimol/B4: 5.5484  Sterimol/L: 13.9878 
 
 Surface and Volume Properties
  Accessible surface: 498.999  Positive charged surface: 332.873  Negative charged surface: 166.125  Volume: 246.25
  Hydrophobic surface: 191.094  Hydrophilic surface: 307.905
 
 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.