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PUBCHEM-ZINC05837217

 MMsINC code: MMs03408648
Type: Neutral
Formula: C11H14N4O5S
SMILES:   S(C1OC(CO)C(O)C(O)C1O)C1=NC=NC2=NC=NC12
InChI:   InChI=1/C11H14N4O5S/c16-1-4-6(17)7(18)8(19)11(20-4)21-10-5-9(13-2-12-5)14-3-15-10/h2-8,11,16-19H,1H2/t4-,5+,6+,7+,8+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=104.622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.322 g/mol  logS: -1.96303  SlogP: -2.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226792  Sterimol/B1: 2.45804  Sterimol/B2: 4.11736  Sterimol/B3: 5.18136
  Sterimol/B4: 6.62959  Sterimol/L: 12.2384 
 
 Surface and Volume Properties
  Accessible surface: 479.989  Positive charged surface: 361.325  Negative charged surface: 118.665  Volume: 252.375
  Hydrophobic surface: 169.028  Hydrophilic surface: 310.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.