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CHEMBRIDGE-ZINC00037085

 MMsINC code: MMs00584035
Type: Neutral
Formula: C16H21NO5S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)C1CCCCC1
InChI:   InChI=1/C16H21NO5S/c1-9-11(15(19)21-2)14(23-12(9)16(20)22-3)17-13(18)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=70.7207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.412 g/mol  logS: -4.48335  SlogP: 3.14852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427646  Sterimol/B1: 2.82648  Sterimol/B2: 3.50455  Sterimol/B3: 5.20659
  Sterimol/B4: 7.58702  Sterimol/L: 15.8837 
 
 Surface and Volume Properties
  Accessible surface: 595.097  Positive charged surface: 426.824  Negative charged surface: 168.274  Volume: 310.75
  Hydrophobic surface: 502.777  Hydrophilic surface: 92.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.