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PUBCHEM-ZINC02838088

 MMsINC code: MMs02934564
Type: Neutral
Formula: C26H30N4O2
SMILES:   O=C(Nc1ccc(cc1)-c1cnc(nc1)-c1ccc(NC(=O)CCCC)cc1)CCCC
InChI:   InChI=1/C26H30N4O2/c1-3-5-7-24(31)29-22-13-9-19(10-14-22)21-17-27-26(28-18-21)20-11-15-23(16-12-20)30-25(32)8-6-4-2/h9-18H,3-8H2,1-2H3,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.552 g/mol  logS: -8.2831  SlogP: 6.068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00786366  Sterimol/B1: 2.40333  Sterimol/B2: 2.5548  Sterimol/B3: 4.12619
  Sterimol/B4: 7.13833  Sterimol/L: 28.854 
 
 Surface and Volume Properties
  Accessible surface: 825.996  Positive charged surface: 561.167  Negative charged surface: 246.982  Volume: 436.25
  Hydrophobic surface: 667.49  Hydrophilic surface: 158.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.