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ENAMINE-ZINC03458371

 MMsINC code: MMs01455558
Type: Neutral
Formula: C18H19NO4S
SMILES:   s1c(ccc1C)C(=O)NCC(OCC(=O)c1ccc(cc1)CC)=O
InChI:   InChI=1/C18H19NO4S/c1-3-13-5-7-14(8-6-13)15(20)11-23-17(21)10-19-18(22)16-9-4-12(2)24-16/h4-9H,3,10-11H2,1-2H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=61.9129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.419 g/mol  logS: -5.14763  SlogP: 2.77479  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0093817  Sterimol/B1: 2.06954  Sterimol/B2: 3.46395  Sterimol/B3: 3.55333
  Sterimol/B4: 5.8323  Sterimol/L: 21.4459 
 
 Surface and Volume Properties
  Accessible surface: 635.229  Positive charged surface: 359.46  Negative charged surface: 275.769  Volume: 325
  Hydrophobic surface: 483.096  Hydrophilic surface: 152.133
 
 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.