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PUBCHEM-ZINC06601259

 MMsINC code: MMs03816280
Type: Neutral
Formula: C28H36N4O3
SMILES:   O(CC)c1ccc(cc1)C(N(C(=O)CCn1nccc1C)c1ccc(cc1)C)C(=O)NC(C)(C)
C
InChI:   InChI=1/C28H36N4O3/c1-7-35-24-14-10-22(11-15-24)26(27(34)30-28(4,5)6)32(23-12-8-20(2)9-13-23)25(33)17-19-31-21(3)16-18-29-31/h8-16,18,26H,7,17,19H2,1-6H3,(H,30,34)/t26-/m0/s1

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Potential Energy
Epot(MMFF94)=147.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.621 g/mol  logS: -5.57429  SlogP: 5.33984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130959  Sterimol/B1: 3.50605  Sterimol/B2: 4.06946  Sterimol/B3: 4.74361
  Sterimol/B4: 11.0154  Sterimol/L: 18.5392 
 
 Surface and Volume Properties
  Accessible surface: 806.082  Positive charged surface: 566.671  Negative charged surface: 239.411  Volume: 487.875
  Hydrophobic surface: 671.841  Hydrophilic surface: 134.241
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.