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MAYBRIDGE-ZINC02382652

 MMsINC code: MMs02159507
Type: Neutral
Formula: C16H23NO7S
SMILES:   S(OCC(NC(OC(C)(C)C)=O)C(OC)=O)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C16H23NO7S/c1-11-6-8-12(9-7-11)25(20,21)23-10-13(14(18)22-5)17-15(19)24-16(2,3)4/h6-9,13H,10H2,1-5H3,(H,17,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=60.7229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.426 g/mol  logS: -3.89324  SlogP: 1.76662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0650652  Sterimol/B1: 2.89671  Sterimol/B2: 4.78278  Sterimol/B3: 5.15379
  Sterimol/B4: 5.61635  Sterimol/L: 18.4173 
 
 Surface and Volume Properties
  Accessible surface: 628.111  Positive charged surface: 397.694  Negative charged surface: 230.417  Volume: 332.875
  Hydrophobic surface: 444.729  Hydrophilic surface: 183.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.