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CHEMDIV-ZINC04672668

 MMsINC code: MMs00941227
Type: Neutral
Formula: C24H36N2O4
SMILES:   O(C(C)C)c1ccc(cc1OC)C1N(CCCC)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C24H36N2O4/c1-5-6-14-25-22(27)16-26(19-10-8-7-9-11-19)24(28)23(25)18-12-13-20(30-17(2)3)21(15-18)29-4/h12-13,15,17,19,23H,5-11,14,16H2,1-4H3/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.562 g/mol  logS: -4.91096  SlogP: 4.4226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195263  Sterimol/B1: 2.87319  Sterimol/B2: 3.81572  Sterimol/B3: 6.58934
  Sterimol/B4: 10.0991  Sterimol/L: 15.704 
 
 Surface and Volume Properties
  Accessible surface: 716.016  Positive charged surface: 555.499  Negative charged surface: 160.517  Volume: 423
  Hydrophobic surface: 591.072  Hydrophilic surface: 124.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.