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CHEMDIV-ZINC02374463

 MMsINC code: MMs00874705
Type: Neutral
Formula: C20H19F2NO
SMILES:   Fc1ccc(cc1)C(CCNCc1ccc(F)cc1)c1occc1
InChI:   InChI=1/C20H19F2NO/c21-17-7-3-15(4-8-17)14-23-12-11-19(20-2-1-13-24-20)16-5-9-18(22)10-6-16/h1-10,13,19,23H,11-12,14H2/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.374 g/mol  logS: -5.14051  SlogP: 5.136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103235  Sterimol/B1: 2.51033  Sterimol/B2: 3.43281  Sterimol/B3: 4.38774
  Sterimol/B4: 8.31808  Sterimol/L: 16.9042 
 
 Surface and Volume Properties
  Accessible surface: 608.701  Positive charged surface: 326.5  Negative charged surface: 282.201  Volume: 317.75
  Hydrophobic surface: 585.28  Hydrophilic surface: 23.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00874706
CHEMDIV-ZINC02374463