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ACROSORGANICS-ZINC04284025

 MMsINC code: MMs00017968
Type: Neutral
Formula: C30H40O8
SMILES:   O1CCOc2cc(ccc2OCCOCCOc2cc(ccc2OCC1)C(=O)CCCC)C(=O)CCCC
InChI:   InChI=1/C30H40O8/c1-3-5-7-25(31)23-9-11-27-29(21-23)37-19-15-33-14-18-36-28-12-10-24(26(32)8-6-4-2)22-30(28)38-20-16-34-13-17-35-27/h9-12,21-22H,3-8,13-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 528.642 g/mol  logS: -6.90382  SlogP: 5.6946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260229  Sterimol/B1: 2.32997  Sterimol/B2: 5.33997  Sterimol/B3: 5.45464
  Sterimol/B4: 6.50906  Sterimol/L: 29.1021 
 
 Surface and Volume Properties
  Accessible surface: 905.556  Positive charged surface: 694.565  Negative charged surface: 210.99  Volume: 525.875
  Hydrophobic surface: 770.763  Hydrophilic surface: 134.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  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.