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PEAKDALE-ZINC01499705

 MMsINC code: MMs02611614
Type: Neutral
Formula: C30H24N4O2
SMILES:   o1c2c(cc1-c1c3nc(ccc3cnc1)C(=O)N1CCC(CC1)c1c3c([nH]c1)cccc3)
cccc2
InChI:   InChI=1/C30H24N4O2/c35-30(34-13-11-19(12-14-34)23-18-32-25-7-3-2-6-22(23)25)26-10-9-21-16-31-17-24(29(21)33-26)28-15-20-5-1-4-8-27(20)36-28/h1-10,15-19,32H,11-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.548 g/mol  logS: -7.29506  SlogP: 6.5441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140297  Sterimol/B1: 2.27355  Sterimol/B2: 4.0632  Sterimol/B3: 4.57685
  Sterimol/B4: 10.6795  Sterimol/L: 17.768 
 
 Surface and Volume Properties
  Accessible surface: 740.238  Positive charged surface: 462.783  Negative charged surface: 263.363  Volume: 455.125
  Hydrophobic surface: 625.968  Hydrophilic surface: 114.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.