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ASINEX-ZINC01341683

 MMsINC code: MMs00240094
Type: Neutral
Formula: C24H25FN2O4
SMILES:   Fc1ccc(cc1)C(N(C(=O)c1occc1)Cc1occc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H25FN2O4/c25-18-12-10-17(11-13-18)22(23(28)26-19-6-2-1-3-7-19)27(16-20-8-4-14-30-20)24(29)21-9-5-15-31-21/h4-5,8-15,19,22H,1-3,6-7,16H2,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.472 g/mol  logS: -6.40265  SlogP: 5.2062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163966  Sterimol/B1: 2.44008  Sterimol/B2: 3.10453  Sterimol/B3: 5.63383
  Sterimol/B4: 11.9456  Sterimol/L: 15.5235 
 
 Surface and Volume Properties
  Accessible surface: 661.874  Positive charged surface: 389.604  Negative charged surface: 272.271  Volume: 399.75
  Hydrophobic surface: 615.966  Hydrophilic surface: 45.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.