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ENAMINE-ZINC05792246

 MMsINC code: MMs01639169
Type: Neutral
Formula: C22H23F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C)C1=O)C
InChI:   InChI=1/C22H23F2N3O3/c1-14(2)26(12-15-7-5-4-6-8-15)19(28)13-27-20(29)22(3,25-21(27)30)17-11-16(23)9-10-18(17)24/h4-11,14H,12-13H2,1-3H3,(H,25,30)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.7215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.44 g/mol  logS: -5.20846  SlogP: 3.7469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11347  Sterimol/B1: 2.66263  Sterimol/B2: 4.07515  Sterimol/B3: 5.70515
  Sterimol/B4: 7.13032  Sterimol/L: 16.4958 
 
 Surface and Volume Properties
  Accessible surface: 643.039  Positive charged surface: 357.734  Negative charged surface: 285.305  Volume: 377.5
  Hydrophobic surface: 490.255  Hydrophilic surface: 152.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.