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ENAMINE-ZINC03488584

 MMsINC code: MMs01469834
Type: Neutral
Formula: C18H16ClNO4S
SMILES:   Clc1ccc(SC)cc1C(OCC(=O)Nc1ccc(cc1)C(=O)C)=O
InChI:   InChI=1/C18H16ClNO4S/c1-11(21)12-3-5-13(6-4-12)20-17(22)10-24-18(23)15-9-14(25-2)7-8-16(15)19/h3-9H,10H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=97.9025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.848 g/mol  logS: -5.831  SlogP: 4.06  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128238  Sterimol/B1: 2.5503  Sterimol/B2: 3.35853  Sterimol/B3: 4.46772
  Sterimol/B4: 6.82326  Sterimol/L: 19.0138 
 
 Surface and Volume Properties
  Accessible surface: 631.61  Positive charged surface: 319.402  Negative charged surface: 312.208  Volume: 335.25
  Hydrophobic surface: 470.745  Hydrophilic surface: 160.865
 
 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.