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ASINEX-ZINC02878881

 MMsINC code: MMs00280022
Type: Neutral
Formula: C23H29NO3
SMILES:   O(C)c1cc(ccc1OC)C1(CCCC1)CNC(=O)CCc1ccccc1
InChI:   InChI=1/C23H29NO3/c1-26-20-12-11-19(16-21(20)27-2)23(14-6-7-15-23)17-24-22(25)13-10-18-8-4-3-5-9-18/h3-5,8-9,11-12,16H,6-7,10,13-15,17H2,1-2H3,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.489 g/mol  logS: -4.73647  SlogP: 4.26457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982704  Sterimol/B1: 2.50474  Sterimol/B2: 3.11604  Sterimol/B3: 4.8288
  Sterimol/B4: 10.6621  Sterimol/L: 17.3885 
 
 Surface and Volume Properties
  Accessible surface: 674.253  Positive charged surface: 486.836  Negative charged surface: 187.417  Volume: 378.625
  Hydrophobic surface: 622.392  Hydrophilic surface: 51.861
 
 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.