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CHEMDIV-ZINC01795988

 MMsINC code: MMs00868451
Type: Neutral
Formula: C17H18ClNO5S
SMILES:   Clc1ccccc1Oc1ccc(S(=O)(=O)NCCCCC(O)=O)cc1
InChI:   InChI=1/C17H18ClNO5S/c18-15-5-1-2-6-16(15)24-13-8-10-14(11-9-13)25(22,23)19-12-4-3-7-17(20)21/h1-2,5-6,8-11,19H,3-4,7,12H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=32.6164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.852 g/mol  logS: -4.02116  SlogP: 3.6655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040101  Sterimol/B1: 2.76388  Sterimol/B2: 4.64503  Sterimol/B3: 5.28655
  Sterimol/B4: 5.76607  Sterimol/L: 19.6951 
 
 Surface and Volume Properties
  Accessible surface: 633.749  Positive charged surface: 333.154  Negative charged surface: 300.595  Volume: 330.125
  Hydrophobic surface: 452.375  Hydrophilic surface: 181.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00868452
CHEMDIV-ZINC01795988