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ASINEX-ZINC04240660

 MMsINC code: MMs00321227
Type: Neutral
Formula: C24H29FN2O3
SMILES:   Fc1ccccc1C(N(C(=O)c1occc1)C1CCCCC1)C(=O)NC1CCCC1
InChI:   InChI=1/C24H29FN2O3/c25-20-14-7-6-13-19(20)22(23(28)26-17-9-4-5-10-17)27(18-11-2-1-3-12-18)24(29)21-15-8-16-30-21/h6-8,13-18,22H,1-5,9-12H2,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.505 g/mol  logS: -5.8391  SlogP: 5.0892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259747  Sterimol/B1: 2.87958  Sterimol/B2: 4.20853  Sterimol/B3: 5.99848
  Sterimol/B4: 9.48829  Sterimol/L: 15.261 
 
 Surface and Volume Properties
  Accessible surface: 664.638  Positive charged surface: 441.067  Negative charged surface: 223.571  Volume: 399.125
  Hydrophobic surface: 634.04  Hydrophilic surface: 30.598
 
 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.