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ENAMINE-ZINC03384291

 MMsINC code: MMs01409213
Type: Neutral
Formula: C14H12ClNO3S
SMILES:   Clc1cc(NC(=O)COC(=O)c2sccc2C)ccc1
InChI:   InChI=1/C14H12ClNO3S/c1-9-5-6-20-13(9)14(18)19-8-12(17)16-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=67.7368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.773 g/mol  logS: -4.46447  SlogP: 3.50542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014998  Sterimol/B1: 2.18845  Sterimol/B2: 2.57335  Sterimol/B3: 3.42564
  Sterimol/B4: 6.08539  Sterimol/L: 17.5679 
 
 Surface and Volume Properties
  Accessible surface: 538.52  Positive charged surface: 253.919  Negative charged surface: 284.601  Volume: 267.25
  Hydrophobic surface: 460.559  Hydrophilic surface: 77.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.