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ASINEX-ZINC00780508

 MMsINC code: MMs00160366
Type: Neutral
Formula: C25H26N2O4
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)N1CCC(CC1)C(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C25H26N2O4/c1-30-20-14-19(15-21(16-20)31-2)25(29)27-12-10-18(11-13-27)24(28)26-23-9-5-7-17-6-3-4-8-22(17)23/h3-9,14-16,18H,10-13H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -5.70895  SlogP: 4.3479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657121  Sterimol/B1: 2.55018  Sterimol/B2: 4.86338  Sterimol/B3: 5.2794
  Sterimol/B4: 7.00841  Sterimol/L: 20.5483 
 
 Surface and Volume Properties
  Accessible surface: 702.055  Positive charged surface: 480.725  Negative charged surface: 212.478  Volume: 400.625
  Hydrophobic surface: 621.754  Hydrophilic surface: 80.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.