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ASINEX-ZINC04240766

 MMsINC code: MMs00321272
Type: Neutral
Formula: C25H25FN2O3
SMILES:   Fc1ccc(cc1)CN(C(C(=O)NC1CCCC1)c1ccccc1)C(=O)c1occc1
InChI:   InChI=1/C25H25FN2O3/c26-20-14-12-18(13-15-20)17-28(25(30)22-11-6-16-31-22)23(19-7-2-1-3-8-19)24(29)27-21-9-4-5-10-21/h1-3,6-8,11-16,21,23H,4-5,9-10,17H2,(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.484 g/mol  logS: -6.13586  SlogP: 5.2231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290009  Sterimol/B1: 2.59743  Sterimol/B2: 3.16043  Sterimol/B3: 7.29555
  Sterimol/B4: 10.7374  Sterimol/L: 13.8729 
 
 Surface and Volume Properties
  Accessible surface: 654.146  Positive charged surface: 379.628  Negative charged surface: 274.517  Volume: 399.75
  Hydrophobic surface: 610.868  Hydrophilic surface: 43.278
 
 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.