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ACROSORGANICS-ZINC04262448

 MMsINC code: MMs00017529
Type: Neutral
Formula: C34H36O4
SMILES:   O(CCC)c1c2Cc3cccc(Cc4cccc(Cc5cccc(Cc1ccc2)c5O)c4OCCC)c3O
InChI:   InChI=1/C34H36O4/c1-3-17-37-33-27-13-7-14-28(33)20-24-10-6-12-26(32(24)36)22-30-16-8-15-29(34(30)38-18-4-2)21-25-11-5-9-23(19-27)31(25)35/h5-16,35-36H,3-4,17-22H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=271.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 508.658 g/mol  logS: -7.38592  SlogP: 7.35188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.628769  Sterimol/B1: 2.70329  Sterimol/B2: 3.84798  Sterimol/B3: 7.38714
  Sterimol/B4: 9.44075  Sterimol/L: 12.888 
 
 Surface and Volume Properties
  Accessible surface: 673.133  Positive charged surface: 466.04  Negative charged surface: 207.092  Volume: 507
  Hydrophobic surface: 612.359  Hydrophilic surface: 60.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.