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ASINEX-ZINC04230980

 MMsINC code: MMs00320495
Type: Neutral
Formula: C25H27FN2O2
SMILES:   Fc1ccccc1C(=O)N(CC1=Cc2cc(ccc2NC1=O)CC)C1CCCCC1
InChI:   InChI=1/C25H27FN2O2/c1-2-17-12-13-23-18(14-17)15-19(24(29)27-23)16-28(20-8-4-3-5-9-20)25(30)21-10-6-7-11-22(21)26/h6-7,10-15,20H,2-5,8-9,16H2,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=271.779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.501 g/mol  logS: -6.81452  SlogP: 5.19867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078692  Sterimol/B1: 2.90954  Sterimol/B2: 4.67415  Sterimol/B3: 5.53506
  Sterimol/B4: 6.50897  Sterimol/L: 16.6103 
 
 Surface and Volume Properties
  Accessible surface: 651.095  Positive charged surface: 412.97  Negative charged surface: 238.125  Volume: 390.75
  Hydrophobic surface: 553.622  Hydrophilic surface: 97.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.