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PUBCHEM-ZINC04877481

 MMsINC code: MMs03181012
Type: Neutral
Formula: C15H18N2O8S
SMILES:   S=C1NC(=O)N(C=C1)C1OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C15H18N2O8S/c1-7(18)22-6-10-12(23-8(2)19)13(24-9(3)20)14(25-10)17-5-4-11(26)16-15(17)21/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,26)/t10-,12+,13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=64.3178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.381 g/mol  logS: -2.97914  SlogP: 0.0041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115813  Sterimol/B1: 3.27838  Sterimol/B2: 3.89402  Sterimol/B3: 4.35656
  Sterimol/B4: 9.11635  Sterimol/L: 14.3462 
 
 Surface and Volume Properties
  Accessible surface: 615.852  Positive charged surface: 327.152  Negative charged surface: 288.699  Volume: 322.25
  Hydrophobic surface: 342.196  Hydrophilic surface: 273.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.