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PHARMEK-ZINC01896669

 MMsINC code: MMs02624011
Type: Ionized
Formula: C10H15F3NO4S-
SMILES:   S(CCC(NC(OC(C)(C)C)=O)C(=O)[O-])C(F)(F)F
InChI:   InChI=1/C10H16F3NO4S/c1-9(2,3)18-8(17)14-6(7(15)16)4-5-19-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=10.8471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.293 g/mol  logS: -3.41045  SlogP: 1.6926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116136  Sterimol/B1: 2.23788  Sterimol/B2: 4.93695  Sterimol/B3: 5.33959
  Sterimol/B4: 5.81863  Sterimol/L: 12.447 
 
 Surface and Volume Properties
  Accessible surface: 494.441  Positive charged surface: 234.331  Negative charged surface: 260.11  Volume: 244.625
  Hydrophobic surface: 192.945  Hydrophilic surface: 301.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02624010
PHARMEK-ZINC01896669