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ENAMINE-ZINC03306823

 MMsINC code: MMs01361618
Type: Ionized
Formula: C12H13ClNO4S-
SMILES:   Clc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]
InChI:   InChI=1/C12H14ClNO4S/c13-11-6-5-9(7-10(11)12(15)16)19(17,18)14-8-3-1-2-4-8/h5-8,14H,1-4H2,(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=11.4782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.758 g/mol  logS: -3.14292  SlogP: 0.9244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164522  Sterimol/B1: 2.50665  Sterimol/B2: 3.7989  Sterimol/B3: 4.51103
  Sterimol/B4: 6.70808  Sterimol/L: 13.6206 
 
 Surface and Volume Properties
  Accessible surface: 483.856  Positive charged surface: 223.383  Negative charged surface: 260.473  Volume: 250.625
  Hydrophobic surface: 329.731  Hydrophilic surface: 154.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01361617
ENAMINE-ZINC03306823