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PUBCHEM-ZINC04613798

 MMsINC code: MMs03141491
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(C)c1cc(ccc1)C(=O)NCCCCCCCCNC(=O)c1cc(OC)ccc1
InChI:   InChI=1/C24H32N2O4/c1-29-21-13-9-11-19(17-21)23(27)25-15-7-5-3-4-6-8-16-26-24(28)20-12-10-14-22(18-20)30-2/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -5.40976  SlogP: 4.2042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00409588  Sterimol/B1: 2.37471  Sterimol/B2: 2.37857  Sterimol/B3: 4.01256
  Sterimol/B4: 4.63887  Sterimol/L: 30.277 
 
 Surface and Volume Properties
  Accessible surface: 812.142  Positive charged surface: 582.809  Negative charged surface: 229.332  Volume: 423.75
  Hydrophobic surface: 704.994  Hydrophilic surface: 107.148
 
 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.