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PUBCHEM-ZINC04093338

 MMsINC code: MMs03089270
Type: Neutral
Formula: C26H32N4O5
SMILES:   O1c2cc(ccc2OC1)CN(C(=O)CCCC(=O)Nc1ncccc1)CC(=O)NC1CCCCC1
InChI:   InChI=1/C26H32N4O5/c31-24(29-23-9-4-5-14-27-23)10-6-11-26(33)30(17-25(32)28-20-7-2-1-3-8-20)16-19-12-13-21-22(15-19)35-18-34-21/h4-5,9,12-15,20H,1-3,6-8,10-11,16-18H2,(H,28,32)(H,27,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.565 g/mol  logS: -4.03899  SlogP: 3.6632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402977  Sterimol/B1: 3.17976  Sterimol/B2: 3.5327  Sterimol/B3: 3.74769
  Sterimol/B4: 11.7581  Sterimol/L: 21.7755 
 
 Surface and Volume Properties
  Accessible surface: 823.264  Positive charged surface: 595.03  Negative charged surface: 228.234  Volume: 459.875
  Hydrophobic surface: 636.137  Hydrophilic surface: 187.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.