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ASINEX-ZINC00911660

 MMsINC code: MMs00216649
Type: Neutral
Formula: C19H11Cl2NOS
SMILES:   Clc1c2c(sc1C(=O)Nc1cc3c(cc1)cccc3)cccc2Cl
InChI:   InChI=1/C19H11Cl2NOS/c20-14-6-3-7-15-16(14)17(21)18(24-15)19(23)22-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.3021 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: 0.0105274  Sterimol/B1: 2.78409  Sterimol/B2: 2.99167  Sterimol/B3: 4.17855
  Sterimol/B4: 4.67532  Sterimol/L: 18.3188 
 
 Surface and Volume Properties
  Accessible surface: 567.647  Positive charged surface: 230.434  Negative charged surface: 320.896  Volume: 313.75
  Hydrophobic surface: 535.202  Hydrophilic surface: 32.445
 
 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.