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CHEMBRIDGE-ZINC04821285

 MMsINC code: MMs00793478
Type: Neutral
Formula: C19H23F3N2O
SMILES:   FC(F)(F)c1cc(NC(=O)NCC23CC4CC(C2)CC(C3)C4)ccc1
InChI:   InChI=1/C19H23F3N2O/c20-19(21,22)15-2-1-3-16(7-15)24-17(25)23-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2,(H2,23,24,25)/t12-,13+,14-,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.7273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.4 g/mol  logS: -6.20246  SlogP: 5.3548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612491  Sterimol/B1: 2.66185  Sterimol/B2: 3.54413  Sterimol/B3: 4.28893
  Sterimol/B4: 6.04278  Sterimol/L: 16.5264 
 
 Surface and Volume Properties
  Accessible surface: 570.395  Positive charged surface: 351.668  Negative charged surface: 218.727  Volume: 317.375
  Hydrophobic surface: 417.726  Hydrophilic surface: 152.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.