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FDA-ZINC00001672

 MMsINC code: MMs01724898
Type: Neutral
Formula: C16H22FNO
SMILES:   Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C
InChI:   InChI=1/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.356 g/mol  logS: -3.23572  SlogP: 3.5205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279756  Sterimol/B1: 3.10627  Sterimol/B2: 3.12392  Sterimol/B3: 3.24203
  Sterimol/B4: 4.49387  Sterimol/L: 18.1022 
 
 Surface and Volume Properties
  Accessible surface: 524.728  Positive charged surface: 363.274  Negative charged surface: 161.454  Volume: 270.375
  Hydrophobic surface: 471.293  Hydrophilic surface: 53.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01724899
FDA-ZINC00001672