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ACROSORGANICS-ZINC02539295

 MMsINC code: MMs00014043
Type: Neutral
Formula: C31H30O4
SMILES:   O1C(C(O)(c2ccccc2)c2ccccc2)C(OC1(C)C)C(O)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=267.839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.577 g/mol  logS: -7.40156  SlogP: 6.0017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.341105  Sterimol/B1: 3.8683  Sterimol/B2: 3.96469  Sterimol/B3: 5.81833
  Sterimol/B4: 8.80431  Sterimol/L: 14.9934 
 
 Surface and Volume Properties
  Accessible surface: 694.1  Positive charged surface: 392.882  Negative charged surface: 301.218  Volume: 459.5
  Hydrophobic surface: 646.911  Hydrophilic surface: 47.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.