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AURORAFEINCHEMIE-ZINC06640876

 MMsINC code: MMs00477161
Type: Neutral
Formula: C19H27FN2O4
SMILES:   Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C19H27FN2O4/c1-6-12(4)16(19(25)26-5)22-18(24)15(11(2)3)21-17(23)13-9-7-8-10-14(13)20/h7-12,15-16H,6H2,1-5H3,(H,21,23)(H,22,24)/t12-,15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.433 g/mol  logS: -4.38345  SlogP: 2.284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104667  Sterimol/B1: 2.21282  Sterimol/B2: 2.60314  Sterimol/B3: 5.73291
  Sterimol/B4: 8.15798  Sterimol/L: 17.7148 
 
 Surface and Volume Properties
  Accessible surface: 633.408  Positive charged surface: 411.297  Negative charged surface: 222.111  Volume: 353.875
  Hydrophobic surface: 493.771  Hydrophilic surface: 139.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.