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ACROSORGANICS-ZINC00085188

 MMsINC code: MMs00003860
Type: Neutral
Formula: C15H10N2S2
SMILES:   s1c2c(nc1Cc1sc3c(n1)cccc3)cccc2
InChI:   InChI=1/C15H10N2S2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.391 g/mol  logS: -4.22167  SlogP: 4.49677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118126  Sterimol/B1: 2.31437  Sterimol/B2: 3.11597  Sterimol/B3: 4.7744
  Sterimol/B4: 5.5167  Sterimol/L: 14.7414 
 
 Surface and Volume Properties
  Accessible surface: 501.729  Positive charged surface: 254.213  Negative charged surface: 247.516  Volume: 251.5
  Hydrophobic surface: 456.792  Hydrophilic surface: 44.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.