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ENAMINE-ZINC03340774

 MMsINC code: MMs01383011
Type: Neutral
Formula: C12H10ClF3N2O4S
SMILES:   Clc1ccc(cc1S(=O)(=O)NC(C(OCC#N)=O)C)C(F)(F)F
InChI:   InChI=1/C12H10ClF3N2O4S/c1-7(11(19)22-5-4-17)18-23(20,21)10-6-8(12(14,15)16)2-3-9(10)13/h2-3,6-7,18H,5H2,1H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=34.2184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.735 g/mol  logS: -4.12645  SlogP: 2.40388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123226  Sterimol/B1: 2.61  Sterimol/B2: 4.66288  Sterimol/B3: 5.19906
  Sterimol/B4: 5.59936  Sterimol/L: 14.9635 
 
 Surface and Volume Properties
  Accessible surface: 529.308  Positive charged surface: 198.733  Negative charged surface: 330.575  Volume: 272.375
  Hydrophobic surface: 207.834  Hydrophilic surface: 321.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.