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CHEMBRIDGE-ZINC02988839

 MMsINC code: MMs00746658
Type: Neutral
Formula: C16H16N2O5S
SMILES:   S(CC=1C(=O)NC(=O)NC=1C)CC(OCC(=O)c1ccccc1)=O
InChI:   InChI=1/C16H16N2O5S/c1-10-12(15(21)18-16(22)17-10)8-24-9-14(20)23-7-13(19)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,17,18,21,22)

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Potential Energy
Epot(MMFF94)=40.6687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.379 g/mol  logS: -4.2281  SlogP: 1.2591  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0337677  Sterimol/B1: 2.35535  Sterimol/B2: 2.50641  Sterimol/B3: 5.06218
  Sterimol/B4: 5.63319  Sterimol/L: 20.3926 
 
 Surface and Volume Properties
  Accessible surface: 596.229  Positive charged surface: 336.66  Negative charged surface: 259.57  Volume: 305.25
  Hydrophobic surface: 344.214  Hydrophilic surface: 252.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.