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PUBCHEM-ZINC04679018

 MMsINC code: MMs03154173
Type: Neutral
Formula: C26H42N2O3
SMILES:   O(CCC1CCCCC1)c1ccc(NC(=O)CCC(=O)NCC(CCCC)CC)cc1
InChI:   InChI=1/C26H42N2O3/c1-3-5-9-21(4-2)20-27-25(29)16-17-26(30)28-23-12-14-24(15-13-23)31-19-18-22-10-7-6-8-11-22/h12-15,21-22H,3-11,16-20H2,1-2H3,(H,27,29)(H,28,30)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.633 g/mol  logS: -7.36843  SlogP: 6.0871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193583  Sterimol/B1: 2.1924  Sterimol/B2: 3.86981  Sterimol/B3: 4.18232
  Sterimol/B4: 8.46995  Sterimol/L: 27.7966 
 
 Surface and Volume Properties
  Accessible surface: 851.562  Positive charged surface: 641.763  Negative charged surface: 209.799  Volume: 464.875
  Hydrophobic surface: 715.279  Hydrophilic surface: 136.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.