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ENAMINE-ZINC06945311

 MMsINC code: MMs01715842
Type: Neutral
Formula: C15H13ClN2O5S
SMILES:   Clc1ccccc1S(=O)(=O)NNC(=O)C1Oc2c(OC1)cccc2
InChI:   InChI=1/C15H13ClN2O5S/c16-10-5-1-4-8-14(10)24(20,21)18-17-15(19)13-9-22-11-6-2-3-7-12(11)23-13/h1-8,13,18H,9H2,(H,17,19)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=105.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.797 g/mol  logS: -4.56822  SlogP: 1.4895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721894  Sterimol/B1: 3.38848  Sterimol/B2: 3.76089  Sterimol/B3: 4.44573
  Sterimol/B4: 5.85124  Sterimol/L: 15.8988 
 
 Surface and Volume Properties
  Accessible surface: 566.661  Positive charged surface: 276.898  Negative charged surface: 289.762  Volume: 299.25
  Hydrophobic surface: 433.029  Hydrophilic surface: 133.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.