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ASINEX-ZINC04503451

 MMsINC code: MMs00344878
Type: Neutral
Formula: C23H32N4O2
SMILES:   O=C(Nc1ccccc1)NCCCCCCCCCNC(=O)Nc1ccccc1
InChI:   InChI=1/C23H32N4O2/c28-22(26-20-14-8-6-9-15-20)24-18-12-4-2-1-3-5-13-19-25-23(29)27-21-16-10-7-11-17-21/h6-11,14-17H,1-5,12-13,18-19H2,(H2,24,26,28)(H2,25,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.4402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.535 g/mol  logS: -5.61858  SlogP: 5.3605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0083103  Sterimol/B1: 2.7535  Sterimol/B2: 2.95886  Sterimol/B3: 3.08403
  Sterimol/B4: 4.11157  Sterimol/L: 29.5217 
 
 Surface and Volume Properties
  Accessible surface: 800.265  Positive charged surface: 559.611  Negative charged surface: 240.653  Volume: 415
  Hydrophobic surface: 666.941  Hydrophilic surface: 133.324
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.