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ASINEX-ZINC00880470

 MMsINC code: MMs00205681
Type: Neutral
Formula: C24H33N3O3
SMILES:   O(C)c1cc2NC(=O)C(=Cc2cc1)CN(C(=O)NC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C24H33N3O3/c1-30-21-13-12-17-14-18(23(28)26-22(17)15-21)16-27(20-10-6-3-7-11-20)24(29)25-19-8-4-2-5-9-19/h12-15,19-20H,2-11,16H2,1H3,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.01 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.546 g/mol  logS: -5.12524  SlogP: 4.7077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109286  Sterimol/B1: 3.44366  Sterimol/B2: 4.72391  Sterimol/B3: 5.56735
  Sterimol/B4: 7.71628  Sterimol/L: 17.5069 
 
 Surface and Volume Properties
  Accessible surface: 685.277  Positive charged surface: 517.32  Negative charged surface: 167.957  Volume: 408.375
  Hydrophobic surface: 599.329  Hydrophilic surface: 85.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.