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ASINEX-ZINC00915911

 MMsINC code: MMs00218399
Type: Neutral
Formula: C24H31NO5
SMILES:   O(C)c1cc(ccc1OC)C1(CCCC1)CNC(=O)Cc1cc(OC)c(OC)cc1
InChI:   InChI=1/C24H31NO5/c1-27-19-9-7-17(13-21(19)29-3)14-23(26)25-16-24(11-5-6-12-24)18-8-10-20(28-2)22(15-18)30-4/h7-10,13,15H,5-6,11-12,14,16H2,1-4H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.72 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.514 g/mol  logS: -4.95531  SlogP: 3.89167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611366  Sterimol/B1: 3.26415  Sterimol/B2: 4.82436  Sterimol/B3: 5.24473
  Sterimol/B4: 7.78652  Sterimol/L: 19.6332 
 
 Surface and Volume Properties
  Accessible surface: 730.617  Positive charged surface: 587.678  Negative charged surface: 142.939  Volume: 410.75
  Hydrophobic surface: 665.756  Hydrophilic surface: 64.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.