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ENAMINE-ZINC03592790

 MMsINC code: MMs01519267
Type: Neutral
Formula: C19H24FN3O3
SMILES:   Fc1ccc(cc1)C(NC(=O)CN1C(=O)C2(NC1=O)CCCCCC2)C
InChI:   InChI=1/C19H24FN3O3/c1-13(14-6-8-15(20)9-7-14)21-16(24)12-23-17(25)19(22-18(23)26)10-4-2-3-5-11-19/h6-9,13H,2-5,10-12H2,1H3,(H,21,24)(H,22,26)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.6588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.417 g/mol  logS: -4.58351  SlogP: 2.7432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054252  Sterimol/B1: 2.33361  Sterimol/B2: 2.47373  Sterimol/B3: 5.23464
  Sterimol/B4: 5.53787  Sterimol/L: 18.8171 
 
 Surface and Volume Properties
  Accessible surface: 608.7  Positive charged surface: 373.079  Negative charged surface: 235.62  Volume: 335.375
  Hydrophobic surface: 472.805  Hydrophilic surface: 135.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.