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ENAMINE-ZINC06852100

 MMsINC code: MMs01706723
Type: Neutral
Formula: C19H15ClN2O2S
SMILES:   Clc1c2c(sc1C(=O)N1Cc3c(CC1C(=O)N)cccc3)cccc2
InChI:   InChI=1/C19H15ClN2O2S/c20-16-13-7-3-4-8-15(13)25-17(16)19(24)22-10-12-6-2-1-5-11(12)9-14(22)18(21)23/h1-8,14H,9-10H2,(H2,21,23)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=117.478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.86 g/mol  logS: -6.04299  SlogP: 3.87347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961697  Sterimol/B1: 3.06626  Sterimol/B2: 3.25233  Sterimol/B3: 4.73037
  Sterimol/B4: 8.43132  Sterimol/L: 14.6597 
 
 Surface and Volume Properties
  Accessible surface: 562.371  Positive charged surface: 274.426  Negative charged surface: 282.808  Volume: 321.5
  Hydrophobic surface: 463.621  Hydrophilic surface: 98.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.