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ASINEX-ZINC01379350

 MMsINC code: MMs00252000
Type: Neutral
Formula: C19H26FN3O2
SMILES:   Fc1ccc(cc1)CNC(=O)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H26FN3O2/c20-15-10-8-14(9-11-15)13-21-18(24)17-7-4-12-23(17)19(25)22-16-5-2-1-3-6-16/h8-11,16-17H,1-7,12-13H2,(H,21,24)(H,22,25)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.2148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.434 g/mol  logS: -3.75731  SlogP: 3.215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585719  Sterimol/B1: 2.77181  Sterimol/B2: 4.18273  Sterimol/B3: 4.34318
  Sterimol/B4: 7.0286  Sterimol/L: 17.8718 
 
 Surface and Volume Properties
  Accessible surface: 636.921  Positive charged surface: 446.259  Negative charged surface: 190.662  Volume: 340.5
  Hydrophobic surface: 577.673  Hydrophilic surface: 59.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.