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ASINEX-ZINC02057919

 MMsINC code: MMs00261643
Type: Neutral
Formula: C24H26N2O5
SMILES:   OC=1c2c(N(CCCCC)C(=O)C=1C(=O)Nc1ccccc1C(OCC)=O)cccc2
InChI:   InChI=1/C24H26N2O5/c1-3-5-10-15-26-19-14-9-7-12-17(19)21(27)20(23(26)29)22(28)25-18-13-8-6-11-16(18)24(30)31-4-2/h6-9,11-14,27H,3-5,10,15H2,1-2H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.8719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -6.05766  SlogP: 4.3079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159465  Sterimol/B1: 2.41558  Sterimol/B2: 4.57366  Sterimol/B3: 6.28578
  Sterimol/B4: 9.77758  Sterimol/L: 18.0771 
 
 Surface and Volume Properties
  Accessible surface: 732.325  Positive charged surface: 473.566  Negative charged surface: 258.758  Volume: 404.75
  Hydrophobic surface: 574.812  Hydrophilic surface: 157.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.