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ASINEX-ZINC00911657

 MMsINC code: MMs00216647
Type: Neutral
Formula: C19H11Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)Nc1c3c(ccc1)cccc3)cccc2Cl
InChI:   InChI=1/C19H11Cl2NOS/c20-13-8-4-10-15-16(13)17(21)18(24-15)19(23)22-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,22,23)

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Potential Energy
Epot(MMFF94)=96.6148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.275 g/mol  logS: -8.35468  SlogP: 6.6136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00958048  Sterimol/B1: 2.63483  Sterimol/B2: 3.0121  Sterimol/B3: 3.07663
  Sterimol/B4: 6.90426  Sterimol/L: 16.8987 
 
 Surface and Volume Properties
  Accessible surface: 556.418  Positive charged surface: 220.554  Negative charged surface: 320.952  Volume: 315.125
  Hydrophobic surface: 533.026  Hydrophilic surface: 23.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.