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CHEMBLOCK-ZINC04686465

 MMsINC code: MMs00568697
Type: Neutral
Formula: C17H20F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C(C)c2ccccc2)C1=O)NC(=O)CC(C)C
InChI:   InChI=1/C17H20F3N3O3/c1-10(2)9-13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,21,24)(H,22,26)/t11-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.359 g/mol  logS: -4.68069  SlogP: 3.2357  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0769692  Sterimol/B1: 2.32785  Sterimol/B2: 3.16756  Sterimol/B3: 5.21183
  Sterimol/B4: 6.46886  Sterimol/L: 17.1144 
 
 Surface and Volume Properties
  Accessible surface: 573.486  Positive charged surface: 319.55  Negative charged surface: 253.935  Volume: 321.25
  Hydrophobic surface: 346.522  Hydrophilic surface: 226.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.