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ACROSORGANICS-ZINC01599716

MMsINC code: MMs00009780

Type: Neutral
Formula: C27H24O3
SMILES:   O(C)c1ccc(cc1)-c1cc(cc(c1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
InChI:   InChI=1/C27H24O3/c1-28-25-10-4-19(5-11-25)22-16-23(20-6-12-26(29-2)13-7-20)18-24(17-22)21-8-14-27(30-3)15-9-21/h4-18H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=158.686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.486 g/mol  logS: -8.81516  SlogP: 6.7134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00536179  Sterimol/B1: 2.37498  Sterimol/B2: 2.37844  Sterimol/B3: 2.39948
  Sterimol/B4: 14.119  Sterimol/L: 18.704 
 
 Surface and Volume Properties
  Accessible surface: 714.115  Positive charged surface: 427.427  Negative charged surface: 251.439  Volume: 400.125
  Hydrophobic surface: 682.373  Hydrophilic surface: 31.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.