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ASINEX-ZINC04848726

 MMsINC code: MMs00379126
Type: Neutral
Formula: C24H29FN4O2
SMILES:   Fc1ccc(N(C(=O)c2ccc(nc2)N2CCCC2)CC(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C24H29FN4O2/c25-19-9-11-21(12-10-19)29(17-23(30)27-20-6-2-1-3-7-20)24(31)18-8-13-22(26-16-18)28-14-4-5-15-28/h8-13,16,20H,1-7,14-15,17H2,(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=207.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.52 g/mol  logS: -4.72048  SlogP: 3.9166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779751  Sterimol/B1: 2.73028  Sterimol/B2: 2.86538  Sterimol/B3: 4.36084
  Sterimol/B4: 11.4919  Sterimol/L: 16.916 
 
 Surface and Volume Properties
  Accessible surface: 701.459  Positive charged surface: 483.535  Negative charged surface: 217.923  Volume: 407.375
  Hydrophobic surface: 615.426  Hydrophilic surface: 86.033
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.