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PUBCHEM-ZINC05381208

 MMsINC code: MMs03252773
Type: Neutral
Formula: C24H29N3O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)N\N=C(/C)\c1ccc(NC(=O)C2CCCCC2)cc1
InChI:   InChI=1/C24H29N3O4/c1-16(26-27-24(29)19-11-14-21(30-2)22(15-19)31-3)17-9-12-20(13-10-17)25-23(28)18-7-5-4-6-8-18/h9-15,18H,4-8H2,1-3H3,(H,25,28)(H,27,29)/b26-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.513 g/mol  logS: -6.00168  SlogP: 4.3766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264411  Sterimol/B1: 2.01688  Sterimol/B2: 3.11954  Sterimol/B3: 3.39198
  Sterimol/B4: 12.4311  Sterimol/L: 20.9315 
 
 Surface and Volume Properties
  Accessible surface: 742.873  Positive charged surface: 534.149  Negative charged surface: 208.724  Volume: 412.25
  Hydrophobic surface: 628.035  Hydrophilic surface: 114.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.