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ENAMINE-ZINC05120549

 MMsINC code: MMs01589694
Type: Neutral
Formula: C10H13ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)NC(C)(C)C)ccc1F
InChI:   InChI=1/C10H13ClFNO2S/c1-10(2,3)13-16(14,15)7-4-5-9(12)8(11)6-7/h4-6,13H,1-3H3

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Potential Energy
Epot(MMFF94)=28.9639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.736 g/mol  logS: -3.23376  SlogP: 2.5559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233156  Sterimol/B1: 3.54106  Sterimol/B2: 3.83881  Sterimol/B3: 4.01771
  Sterimol/B4: 4.97418  Sterimol/L: 11.465 
 
 Surface and Volume Properties
  Accessible surface: 423.236  Positive charged surface: 192.112  Negative charged surface: 231.124  Volume: 220.25
  Hydrophobic surface: 305.585  Hydrophilic surface: 117.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.