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ENAMINE-ZINC02656169

 MMsINC code: MMs01279061
Type: Ionized
Formula: C10H11ClNO5S-
SMILES:   Clc1ccc(S(=O)(=O)NCCOC)cc1C(=O)[O-]
InChI:   InChI=1/C10H12ClNO5S/c1-17-5-4-12-18(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=14.7214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.719 g/mol  logS: -2.32964  SlogP: -0.3718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660499  Sterimol/B1: 3.12704  Sterimol/B2: 4.08637  Sterimol/B3: 4.36136
  Sterimol/B4: 4.83022  Sterimol/L: 14.9471 
 
 Surface and Volume Properties
  Accessible surface: 478.662  Positive charged surface: 245.56  Negative charged surface: 233.102  Volume: 235.125
  Hydrophobic surface: 312.793  Hydrophilic surface: 165.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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:


MMs01279060
ENAMINE-ZINC02656169