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CHEMDIV-ZINC04936756

 MMsINC code: MMs00971166
Type: Neutral
Formula: C16H11ClO4S
SMILES:   Clc1cc2C=C(S(=O)(=O)c3ccc(cc3)C)C(Oc2cc1)=O
InChI:   InChI=1/C16H11ClO4S/c1-10-2-5-13(6-3-10)22(19,20)15-9-11-8-12(17)4-7-14(11)21-16(15)18/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=61.3715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.779 g/mol  logS: -5.97979  SlogP: 3.38222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121488  Sterimol/B1: 2.49629  Sterimol/B2: 3.75578  Sterimol/B3: 4.68561
  Sterimol/B4: 6.49623  Sterimol/L: 16.1899 
 
 Surface and Volume Properties
  Accessible surface: 525.09  Positive charged surface: 222.577  Negative charged surface: 302.514  Volume: 279.25
  Hydrophobic surface: 424.281  Hydrophilic surface: 100.809
 
 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.