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PUBCHEM-ZINC00115980

 MMsINC code: MMs02633579
Type: Neutral
Formula: C10H6ClNO4S
SMILES:   ClC1=CC(=O)N(C1=O)c1sccc1C(OC)=O
InChI:   InChI=1/C10H6ClNO4S/c1-16-10(15)5-2-3-17-9(5)12-7(13)4-6(11)8(12)14/h2-4H,1H3

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Potential Energy
Epot(MMFF94)=42.4658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.68 g/mol  logS: -3.70052  SlogP: 1.6395  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.141862  Sterimol/B1: 1.99022  Sterimol/B2: 3.94131  Sterimol/B3: 4.01057
  Sterimol/B4: 7.92117  Sterimol/L: 11.7563 
 
 Surface and Volume Properties
  Accessible surface: 437.168  Positive charged surface: 182.425  Negative charged surface: 254.743  Volume: 211.5
  Hydrophobic surface: 336.775  Hydrophilic surface: 100.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.