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CHEMDIV-ZINC04034370

 MMsINC code: MMs00923164
Type: Neutral
Formula: C24H28N2O5
SMILES:   o1nc(cc1-c1ccc(OC)cc1)CCCC(=O)NCCc1cc(OC)ccc1OC
InChI:   InChI=1/C24H28N2O5/c1-28-20-9-7-17(8-10-20)23-16-19(26-31-23)5-4-6-24(27)25-14-13-18-15-21(29-2)11-12-22(18)30-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=106.998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.497 g/mol  logS: -4.85113  SlogP: 4.04894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327127  Sterimol/B1: 3.93175  Sterimol/B2: 4.07234  Sterimol/B3: 4.2109
  Sterimol/B4: 7.32828  Sterimol/L: 25.4394 
 
 Surface and Volume Properties
  Accessible surface: 789.235  Positive charged surface: 577.171  Negative charged surface: 212.064  Volume: 417.25
  Hydrophobic surface: 695.648  Hydrophilic surface: 93.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.