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ASINEX-ZINC05002498

 MMsINC code: MMs00431860
Type: Neutral
Formula: C24H34N4O2
SMILES:   O=C(Nc1ccc(cc1C)C)NCCCCCCNC(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C24H34N4O2/c1-17-9-11-21(19(3)15-17)27-23(29)25-13-7-5-6-8-14-26-24(30)28-22-12-10-18(2)16-20(22)4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H2,25,27,29)(H2,26,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.8238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.562 g/mol  logS: -5.3417  SlogP: 5.42388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011411  Sterimol/B1: 2.98527  Sterimol/B2: 3.29225  Sterimol/B3: 3.41959
  Sterimol/B4: 5.9412  Sterimol/L: 28.1083 
 
 Surface and Volume Properties
  Accessible surface: 816.163  Positive charged surface: 564.433  Negative charged surface: 251.731  Volume: 431.375
  Hydrophobic surface: 703.019  Hydrophilic surface: 113.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.