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CHEMBLOCK-ZINC04689345

 MMsINC code: MMs00569320
Type: Neutral
Formula: C24H35NO5
SMILES:   O(C(=O)CCCC(=O)Nc1ccc(cc1)C(OCC)=O)C1CCC(CC1)C(C)(C)C
InChI:   InChI=1/C24H35NO5/c1-5-29-23(28)17-9-13-19(14-10-17)25-21(26)7-6-8-22(27)30-20-15-11-18(12-16-20)24(2,3)4/h9-10,13-14,18,20H,5-8,11-12,15-16H2,1-4H3,(H,25,26)/t18-,20-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.6038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.546 g/mol  logS: -6.20171  SlogP: 5.1202  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0210322  Sterimol/B1: 2.85841  Sterimol/B2: 3.16689  Sterimol/B3: 4.18747
  Sterimol/B4: 5.50897  Sterimol/L: 26.4466 
 
 Surface and Volume Properties
  Accessible surface: 780.075  Positive charged surface: 548.628  Negative charged surface: 231.447  Volume: 424.125
  Hydrophobic surface: 594.279  Hydrophilic surface: 185.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.