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CHEMDIV-ZINC04794606

 MMsINC code: MMs00957343
Type: Neutral
Formula: C26H34N2O3
SMILES:   O(C(=O)c1[nH]c2c(c1C)C(=O)CC(C2)c1ccc(N(C)C)cc1)C1CCCCCCC1
InChI:   InChI=1/C26H34N2O3/c1-17-24-22(27-25(17)26(30)31-21-9-7-5-4-6-8-10-21)15-19(16-23(24)29)18-11-13-20(14-12-18)28(2)3/h11-14,19,21,27H,4-10,15-16H2,1-3H3/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.569 g/mol  logS: -5.17976  SlogP: 5.57149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0440513  Sterimol/B1: 2.24385  Sterimol/B2: 3.78029  Sterimol/B3: 4.22212
  Sterimol/B4: 7.66678  Sterimol/L: 21.9312 
 
 Surface and Volume Properties
  Accessible surface: 736.646  Positive charged surface: 541.318  Negative charged surface: 195.328  Volume: 429.5
  Hydrophobic surface: 646.024  Hydrophilic surface: 90.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.