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ENAMINE-ZINC06551605

 MMsINC code: MMs01671739
Type: Neutral
Formula: C16H23F2N3O3
SMILES:   FC(F)Oc1ccc(cc1)CCNC(=O)C(NC(=O)N)C(CC)C
InChI:   InChI=1/C16H23F2N3O3/c1-3-10(2)13(21-16(19)23)14(22)20-9-8-11-4-6-12(7-5-11)24-15(17)18/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,20,22)(H3,19,21,23)/t10-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.374 g/mol  logS: -3.09248  SlogP: 2.44957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616619  Sterimol/B1: 2.11996  Sterimol/B2: 3.53827  Sterimol/B3: 3.84805
  Sterimol/B4: 7.05689  Sterimol/L: 18.3225 
 
 Surface and Volume Properties
  Accessible surface: 600.11  Positive charged surface: 370.378  Negative charged surface: 229.731  Volume: 314.75
  Hydrophobic surface: 331.025  Hydrophilic surface: 269.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.