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MAYBRIDGE-ZINC04377411

 MMsINC code: MMs02172681
Type: Neutral
Formula: C15H24N6S3
SMILES:   S(Cc1c(C)c(CSC(N)=N)c(C)c(CSC(N)=N)c1C)C(N)=N
InChI:   InChI=1/C15H24N6S3/c1-7-10(4-22-13(16)17)8(2)12(6-24-15(20)21)9(3)11(7)5-23-14(18)19/h4-6H2,1-3H3,(H3,16,17)(H3,18,19)(H3,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.30498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.597 g/mol  logS: -7.3088  SlogP: 3.79107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100084  Sterimol/B1: 3.30799  Sterimol/B2: 3.32974  Sterimol/B3: 4.90246
  Sterimol/B4: 9.94541  Sterimol/L: 14.3295 
 
 Surface and Volume Properties
  Accessible surface: 637.44  Positive charged surface: 410.045  Negative charged surface: 227.395  Volume: 354
  Hydrophobic surface: 193.366  Hydrophilic surface: 444.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 3  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.