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CHEMDIV-ZINC06746594

 MMsINC code: MMs01009423
Type: Ionized
Formula: C12H13FNO4S-
SMILES:   S(=O)(=O)(N1CC(CCC1)C(=O)[O-])c1cc(F)ccc1
InChI:   InChI=1/C12H14FNO4S/c13-10-4-1-5-11(7-10)19(17,18)14-6-2-3-9(8-14)12(15)16/h1,4-5,7,9H,2-3,6,8H2,(H,15,16)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=6.4331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.303 g/mol  logS: -2.15857  SlogP: -0.0237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.360422  Sterimol/B1: 2.8301  Sterimol/B2: 3.83657  Sterimol/B3: 5.1967
  Sterimol/B4: 5.93968  Sterimol/L: 10.5095 
 
 Surface and Volume Properties
  Accessible surface: 440.141  Positive charged surface: 218.658  Negative charged surface: 221.482  Volume: 237.75
  Hydrophobic surface: 296.364  Hydrophilic surface: 143.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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MMs01009422
CHEMDIV-ZINC06746594