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CHEMDIV-ZINC03648674

 MMsINC code: MMs00913792
Type: Neutral
Formula: C22H18ClNO2S
SMILES:   Clc1ccc(OCCn2cc(c3c2cccc3)C(=O)c2sccc2)cc1C
InChI:   InChI=1/C22H18ClNO2S/c1-15-13-16(8-9-19(15)23)26-11-10-24-14-18(17-5-2-3-6-20(17)24)22(25)21-7-4-12-27-21/h2-9,12-14H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=104.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.91 g/mol  logS: -6.18775  SlogP: 6.24102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0654868  Sterimol/B1: 3.17539  Sterimol/B2: 5.0438  Sterimol/B3: 5.50202
  Sterimol/B4: 7.85505  Sterimol/L: 17.3839 
 
 Surface and Volume Properties
  Accessible surface: 655.783  Positive charged surface: 311.749  Negative charged surface: 338.669  Volume: 364.25
  Hydrophobic surface: 608.037  Hydrophilic surface: 47.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.