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CHEMDIV-ZINC00427035

MMsINC code: MMs00851981

Type: Neutral
Formula: C19H25FN2O2
SMILES:   Fc1ccc(cc1)CN1C(CCC1=O)(C(=O)NC1CCCCC1)C
InChI:   InChI=1/C19H25FN2O2/c1-19(18(24)21-16-5-3-2-4-6-16)12-11-17(23)22(19)13-14-7-9-15(20)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,21,24)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=59.2134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.419 g/mol  logS: -3.92345  SlogP: 3.4221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232392  Sterimol/B1: 2.09424  Sterimol/B2: 3.52012  Sterimol/B3: 6.01097
  Sterimol/B4: 6.67622  Sterimol/L: 12.5576 
 
 Surface and Volume Properties
  Accessible surface: 516.964  Positive charged surface: 339.756  Negative charged surface: 177.208  Volume: 324.25
  Hydrophobic surface: 441.781  Hydrophilic surface: 75.183
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.