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NCID-ZINC06005168

 MMsINC code: MMs02515755
Type: Neutral
Formula: C26H38N2O7
SMILES:   O(C(C)(C)C)C(=O)N(C(Cc1ccccc1)C(=O)NC1(CCCC1)C(OC)=O)C(OC(C)
(C)C)=O
InChI:   InChI=1/C26H38N2O7/c1-24(2,3)34-22(31)28(23(32)35-25(4,5)6)19(17-18-13-9-8-10-14-18)20(29)27-26(21(30)33-7)15-11-12-16-26/h8-10,13-14,19H,11-12,15-17H2,1-7H3,(H,27,29)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.597 g/mol  logS: -5.52736  SlogP: 4.37187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.350134  Sterimol/B1: 2.12867  Sterimol/B2: 3.63988  Sterimol/B3: 7.80242
  Sterimol/B4: 10.649  Sterimol/L: 15.653 
 
 Surface and Volume Properties
  Accessible surface: 752.725  Positive charged surface: 522.046  Negative charged surface: 230.679  Volume: 478.125
  Hydrophobic surface: 615.806  Hydrophilic surface: 136.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.