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ASINEX-ZINC00625109

 MMsINC code: MMs00142300
Type: Neutral
Formula: C17H13Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)NCCc1ccccc1)cc(Cl)cc2
InChI:   InChI=1/C17H13Cl2NOS/c18-12-6-7-13-14(10-12)22-16(15(13)19)17(21)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=49.3119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.269 g/mol  logS: -6.48231  SlogP: 5.18057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338841  Sterimol/B1: 3.61712  Sterimol/B2: 3.61922  Sterimol/B3: 4.40931
  Sterimol/B4: 4.69791  Sterimol/L: 19.4274 
 
 Surface and Volume Properties
  Accessible surface: 581.446  Positive charged surface: 245.83  Negative charged surface: 330.209  Volume: 306.5
  Hydrophobic surface: 542.107  Hydrophilic surface: 39.339
 
 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.