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ASINEX-ZINC02921304

 MMsINC code: MMs00281207
Type: Neutral
Formula: C14H19FN2O2
SMILES:   Fc1ccc(cc1)C(=O)NCCCN1CCOCC1
InChI:   InChI=1/C14H19FN2O2/c15-13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.3675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.316 g/mol  logS: -2.21713  SlogP: 1.2778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271896  Sterimol/B1: 3.0281  Sterimol/B2: 3.0382  Sterimol/B3: 3.34688
  Sterimol/B4: 5.25192  Sterimol/L: 17.1733 
 
 Surface and Volume Properties
  Accessible surface: 514.665  Positive charged surface: 366.77  Negative charged surface: 147.895  Volume: 258.25
  Hydrophobic surface: 459.083  Hydrophilic surface: 55.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00281208
ASINEX-ZINC02921304