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ENAMINE-ZINC03529732

 MMsINC code: MMs01493029
Type: Neutral
Formula: C14H11Cl2NO3S
SMILES:   Clc1c(NC(=O)C(OC(=O)c2sccc2)C)cccc1Cl
InChI:   InChI=1/C14H11Cl2NO3S/c1-8(20-14(19)11-6-3-7-21-11)13(18)17-10-5-2-4-9(15)12(10)16/h2-8H,1H3,(H,17,18)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=72.9539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.218 g/mol  logS: -5.3655  SlogP: 4.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579035  Sterimol/B1: 2.15559  Sterimol/B2: 2.38546  Sterimol/B3: 5.51974
  Sterimol/B4: 6.31015  Sterimol/L: 17.2886 
 
 Surface and Volume Properties
  Accessible surface: 554.889  Positive charged surface: 215.326  Negative charged surface: 339.563  Volume: 283.875
  Hydrophobic surface: 469.009  Hydrophilic surface: 85.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.