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PUBCHEM-ZINC00041500

 MMsINC code: MMs02628920
Type: Neutral
Formula: C14H16N2O5S
SMILES:   S1CC(N(C(=O)Nc2ccccc2)C1C(OC)=O)C(OC)=O
InChI:   InChI=1/C14H16N2O5S/c1-20-12(17)10-8-22-11(13(18)21-2)16(10)14(19)15-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,15,19)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=89.6148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.357 g/mol  logS: -3.15999  SlogP: 1.308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17688  Sterimol/B1: 1.98928  Sterimol/B2: 3.30931  Sterimol/B3: 4.32928
  Sterimol/B4: 10.5756  Sterimol/L: 13.3614 
 
 Surface and Volume Properties
  Accessible surface: 552.629  Positive charged surface: 368.697  Negative charged surface: 183.932  Volume: 282.375
  Hydrophobic surface: 445.146  Hydrophilic surface: 107.483
 
 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.