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CHEMBLOCK-ZINC04403304

 MMsINC code: MMs00550476
Type: Neutral
Formula: C10H22O4S2
SMILES:   S(C(SCC)C(O)C(O)C(O)C(O)C)CC
InChI:   InChI=1/C10H22O4S2/c1-4-15-10(16-5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.9602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.414 g/mol  logS: -1.6265  SlogP: 0.2822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112476  Sterimol/B1: 2.13688  Sterimol/B2: 3.55924  Sterimol/B3: 3.57421
  Sterimol/B4: 9.56373  Sterimol/L: 13.5022 
 
 Surface and Volume Properties
  Accessible surface: 504.397  Positive charged surface: 351.237  Negative charged surface: 153.16  Volume: 255.375
  Hydrophobic surface: 281.485  Hydrophilic surface: 222.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.