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CHEMDIV-ZINC06820591

 MMsINC code: MMs01043739
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1cc(ccc1NC(=O)Cn1c2cc(sc2cc1C(OC)=O)C)C
InChI:   InChI=1/C18H17ClN2O3S/c1-10-4-5-13(12(19)6-10)20-17(22)9-21-14-7-11(2)25-16(14)8-15(21)18(23)24-3/h4-8H,9H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=76.4698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -5.24402  SlogP: 4.66474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117324  Sterimol/B1: 2.5528  Sterimol/B2: 4.50869  Sterimol/B3: 6.3555
  Sterimol/B4: 8.07959  Sterimol/L: 15.5829 
 
 Surface and Volume Properties
  Accessible surface: 624.798  Positive charged surface: 342.877  Negative charged surface: 281.921  Volume: 334.375
  Hydrophobic surface: 561.292  Hydrophilic surface: 63.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.