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ASINEX-ZINC00758201

 MMsINC code: MMs00157472
Type: Neutral
Formula: C15H22FNO
SMILES:   Fc1cc(ccc1)CCNC1CCCCC1OC
InChI:   InChI=1/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3/t14-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.345 g/mol  logS: -2.58039  SlogP: 2.91537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729703  Sterimol/B1: 2.47431  Sterimol/B2: 3.20083  Sterimol/B3: 3.77128
  Sterimol/B4: 7.70637  Sterimol/L: 14.701 
 
 Surface and Volume Properties
  Accessible surface: 514.709  Positive charged surface: 368.665  Negative charged surface: 146.043  Volume: 263.875
  Hydrophobic surface: 494.849  Hydrophilic surface: 19.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00157473
ASINEX-ZINC00758201