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ASINEX-ZINC01249751

 MMsINC code: MMs00234044
Type: Neutral
Formula: C25H28N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2c(NC1=O)cccc2)C1CCCCC1
InChI:   InChI=1/C25H28N2O4/c1-30-22-13-12-18(15-23(22)31-2)25(29)27(20-9-4-3-5-10-20)16-19-14-17-8-6-7-11-21(17)26-24(19)28/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=308.04 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.509 g/mol  logS: -5.63116  SlogP: 4.5144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.331306  Sterimol/B1: 2.2711  Sterimol/B2: 6.03646  Sterimol/B3: 6.86266
  Sterimol/B4: 8.25014  Sterimol/L: 13.9516 
 
 Surface and Volume Properties
  Accessible surface: 658.562  Positive charged surface: 474.994  Negative charged surface: 183.568  Volume: 402.125
  Hydrophobic surface: 558.347  Hydrophilic surface: 100.215
 
 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.