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ASINEX-ZINC05003871

 MMsINC code: MMs00433360
Type: Neutral
Formula: C24H34N4O2
SMILES:   O=C(NCCc1ccccc1)NCCCCCCNC(=O)NCCc1ccccc1
InChI:   InChI=1/C24H34N4O2/c29-23(27-19-15-21-11-5-3-6-12-21)25-17-9-1-2-10-18-26-24(30)28-20-16-22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2,(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)=-0.955374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.562 g/mol  logS: -4.08394  SlogP: 3.63054  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.011517  Sterimol/B1: 2.45738  Sterimol/B2: 3.61712  Sterimol/B3: 3.61969
  Sterimol/B4: 3.90297  Sterimol/L: 30.7652 
 
 Surface and Volume Properties
  Accessible surface: 845.439  Positive charged surface: 587.15  Negative charged surface: 258.289  Volume: 435.5
  Hydrophobic surface: 698.456  Hydrophilic surface: 146.983
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.