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ASINEX-ZINC00727195

 MMsINC code: MMs00155381
Type: Neutral
Formula: C23H23FN4O2
SMILES:   Fc1ccccc1C(=O)Nc1n(ncc1C(=O)N1CCCCCC1)-c1ccccc1
InChI:   InChI=1/C23H23FN4O2/c24-20-13-7-6-12-18(20)22(29)26-21-19(23(30)27-14-8-1-2-9-15-27)16-25-28(21)17-10-4-3-5-11-17/h3-7,10-13,16H,1-2,8-9,14-15H2,(H,26,29)

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Potential Energy
Epot(MMFF94)=140.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.461 g/mol  logS: -5.11108  SlogP: 4.2799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140456  Sterimol/B1: 3.10053  Sterimol/B2: 3.96672  Sterimol/B3: 4.53306
  Sterimol/B4: 9.66454  Sterimol/L: 14.5853 
 
 Surface and Volume Properties
  Accessible surface: 637.508  Positive charged surface: 390.336  Negative charged surface: 247.172  Volume: 381.125
  Hydrophobic surface: 584.967  Hydrophilic surface: 52.541
 
 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.