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ENAMINE-ZINC02619772

 MMsINC code: MMs01254573
Type: Neutral
Formula: C19H24FN3O3
SMILES:   Fc1ccc(cc1)CCNC(=O)CN1C(=O)C2(NC1=O)CCCCC2C
InChI:   InChI=1/C19H24FN3O3/c1-13-4-2-3-10-19(13)17(25)23(18(26)22-19)12-16(24)21-11-9-14-5-7-15(20)8-6-14/h5-8,13H,2-4,9-12H2,1H3,(H,21,24)(H,22,26)/t13-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.417 g/mol  logS: -4.00432  SlogP: 1.98507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503912  Sterimol/B1: 2.14418  Sterimol/B2: 3.333  Sterimol/B3: 4.5537
  Sterimol/B4: 6.80769  Sterimol/L: 18.7853 
 
 Surface and Volume Properties
  Accessible surface: 617.836  Positive charged surface: 386.008  Negative charged surface: 231.827  Volume: 339.625
  Hydrophobic surface: 479.699  Hydrophilic surface: 138.137
 
 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.