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PUBCHEM-ZINC05379995

 MMsINC code: MMs03252342
Type: Neutral
Formula: C18H21ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NNC(=O)COc2cc(ccc2C(C)C)C)cc1
InChI:   InChI=1/C18H21ClN2O4S/c1-12(2)16-9-4-13(3)10-17(16)25-11-18(22)20-21-26(23,24)15-7-5-14(19)6-8-15/h4-10,12,21H,11H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=111.086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.895 g/mol  logS: -6.03383  SlogP: 3.16032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425623  Sterimol/B1: 2.03561  Sterimol/B2: 3.34552  Sterimol/B3: 3.88862
  Sterimol/B4: 9.06067  Sterimol/L: 17.2164 
 
 Surface and Volume Properties
  Accessible surface: 670.176  Positive charged surface: 345.058  Negative charged surface: 325.117  Volume: 351.25
  Hydrophobic surface: 494.285  Hydrophilic surface: 175.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.