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ENAMINE-ZINC05792266

 MMsINC code: MMs01639173
Type: Neutral
Formula: C19H23F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC2CCCCC2C)C1=O)C
InChI:   InChI=1/C19H23F2N3O3/c1-11-5-3-4-6-15(11)22-16(25)10-24-17(26)19(2,23-18(24)27)13-9-12(20)7-8-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,15-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.407 g/mol  logS: -4.56504  SlogP: 2.7382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605397  Sterimol/B1: 2.11015  Sterimol/B2: 3.25444  Sterimol/B3: 4.17668
  Sterimol/B4: 6.83345  Sterimol/L: 17.9104 
 
 Surface and Volume Properties
  Accessible surface: 614.791  Positive charged surface: 381.613  Negative charged surface: 233.178  Volume: 340.875
  Hydrophobic surface: 464.2  Hydrophilic surface: 150.591
 
 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.