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ENAMINE-ZINC05863518

 MMsINC code: MMs01643370
Type: Neutral
Formula: C18H11FO4S
SMILES:   S(Oc1cc2c3c(oc2cc1)cccc3)(=O)(=O)c1ccccc1F
InChI:   InChI=1/C18H11FO4S/c19-15-6-2-4-8-18(15)24(20,21)23-12-9-10-17-14(11-12)13-5-1-3-7-16(13)22-17/h1-11H

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Potential Energy
Epot(MMFF94)=72.2817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.346 g/mol  logS: -7.0692  SlogP: 4.4928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486135  Sterimol/B1: 2.66206  Sterimol/B2: 3.97889  Sterimol/B3: 4.19005
  Sterimol/B4: 4.8033  Sterimol/L: 16.2823 
 
 Surface and Volume Properties
  Accessible surface: 522.694  Positive charged surface: 241.24  Negative charged surface: 271.571  Volume: 285.25
  Hydrophobic surface: 440.244  Hydrophilic surface: 82.45
 
 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.