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ASINEX-ZINC00269468

 MMsINC code: MMs00104143
Type: Neutral
Formula: C16H20FNO3
SMILES:   Fc1ccc(cc1)CCNC(=O)C1CCCCC1C(O)=O
InChI:   InChI=1/C16H20FNO3/c17-12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14H,1-4,9-10H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.5251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.338 g/mol  logS: -2.97908  SlogP: 2.37537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524738  Sterimol/B1: 2.71116  Sterimol/B2: 3.38193  Sterimol/B3: 4.04884
  Sterimol/B4: 6.49241  Sterimol/L: 16.7012 
 
 Surface and Volume Properties
  Accessible surface: 534.748  Positive charged surface: 344.148  Negative charged surface: 190.601  Volume: 277.375
  Hydrophobic surface: 427.088  Hydrophilic surface: 107.66
 
 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


MMs00104144
ASINEX-ZINC00269468