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NCID-ZINC01669592

 MMsINC code: MMs02305656
Type: Neutral
Formula: C10H17NO4S
SMILES:   S1CC(NC1(C(OCC)=O)C)C(OCC)=O
InChI:   InChI=1/C10H17NO4S/c1-4-14-8(12)7-6-16-10(3,11-7)9(13)15-5-2/h7,11H,4-6H2,1-3H3/t7-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.315 g/mol  logS: -2.35213  SlogP: 0.5338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581288  Sterimol/B1: 3.1697  Sterimol/B2: 3.47761  Sterimol/B3: 3.56525
  Sterimol/B4: 4.52513  Sterimol/L: 16.5544 
 
 Surface and Volume Properties
  Accessible surface: 494.402  Positive charged surface: 335.785  Negative charged surface: 158.616  Volume: 229.375
  Hydrophobic surface: 315.159  Hydrophilic surface: 179.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.