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ENAMINE-ZINC03321847

 MMsINC code: MMs01370610
Type: Neutral
Formula: C15H12ClFOS
SMILES:   Clc1ccc(cc1)CSCC(=O)c1ccccc1F
InChI:   InChI=1/C15H12ClFOS/c16-12-7-5-11(6-8-12)9-19-10-15(18)13-3-1-2-4-14(13)17/h1-8H,9-10H2

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Potential Energy
Epot(MMFF94)=63.0488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.777 g/mol  logS: -5.47884  SlogP: 4.8616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0463682  Sterimol/B1: 2.52569  Sterimol/B2: 3.61697  Sterimol/B3: 3.62081
  Sterimol/B4: 5.48635  Sterimol/L: 18.1847 
 
 Surface and Volume Properties
  Accessible surface: 523.741  Positive charged surface: 242.091  Negative charged surface: 281.65  Volume: 264.625
  Hydrophobic surface: 459.822  Hydrophilic surface: 63.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.