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ASINEX-ZINC00824042

 MMsINC code: MMs00182117
Type: Neutral
Formula: C24H29NO3
SMILES:   O(C)c1cc(ccc1OC)C1(CCCC1)CNC(=O)\C=C(/C)\c1ccccc1
InChI:   InChI=1/C24H29NO3/c1-18(19-9-5-4-6-10-19)15-23(26)25-17-24(13-7-8-14-24)20-11-12-21(27-2)22(16-20)28-3/h4-6,9-12,15-16H,7-8,13-14,17H2,1-3H3,(H,25,26)/b18-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.5 g/mol  logS: -5.6293  SlogP: 4.7353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134467  Sterimol/B1: 2.42566  Sterimol/B2: 3.59824  Sterimol/B3: 6.97772
  Sterimol/B4: 8.2784  Sterimol/L: 16.6435 
 
 Surface and Volume Properties
  Accessible surface: 668.736  Positive charged surface: 480.457  Negative charged surface: 188.279  Volume: 392.25
  Hydrophobic surface: 637.104  Hydrophilic surface: 31.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.