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ENAMINE-ZINC04562938

 MMsINC code: MMs01547410
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1sc(cc1)C(OC(C(=O)Nc1ccccc1OC)C)=O
InChI:   InChI=1/C15H14ClNO4S/c1-9(21-15(19)12-7-8-13(16)22-12)14(18)17-10-5-3-4-6-11(10)20-2/h3-9H,1-2H3,(H,17,18)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=79.9424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.99285  SlogP: 3.5941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281228  Sterimol/B1: 2.31417  Sterimol/B2: 2.96138  Sterimol/B3: 3.67284
  Sterimol/B4: 7.38301  Sterimol/L: 17.0218 
 
 Surface and Volume Properties
  Accessible surface: 584.053  Positive charged surface: 297.836  Negative charged surface: 286.217  Volume: 294.25
  Hydrophobic surface: 489.414  Hydrophilic surface: 94.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.