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CHEMDIV-ZINC04673078

 MMsINC code: MMs00941289
Type: Neutral
Formula: C26H38N2O3
SMILES:   O(CCCC)c1ccc(cc1)C1N(C2CCCCC2)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C26H38N2O3/c1-2-3-18-31-23-16-14-20(15-17-23)25-26(30)27(21-10-6-4-7-11-21)19-24(29)28(25)22-12-8-5-9-13-22/h14-17,21-22,25H,2-13,18-19H2,1H3/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.601 g/mol  logS: -5.6773  SlogP: 5.3383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953681  Sterimol/B1: 3.14675  Sterimol/B2: 4.86958  Sterimol/B3: 5.50894
  Sterimol/B4: 10.3897  Sterimol/L: 18.3611 
 
 Surface and Volume Properties
  Accessible surface: 734.818  Positive charged surface: 559.984  Negative charged surface: 174.833  Volume: 440.625
  Hydrophobic surface: 667.125  Hydrophilic surface: 67.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.