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CHEMBRIDGE-ZINC04842555

 MMsINC code: MMs00799872
Type: Neutral
Formula: C19H18FNO
SMILES:   Fc1ccc(cc1)-c1oc(cc1)CNC(C)c1ccccc1
InChI:   InChI=1/C19H18FNO/c1-14(15-5-3-2-4-6-15)21-13-18-11-12-19(22-18)16-7-9-17(20)10-8-16/h2-12,14,21H,13H2,1H3/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.357 g/mol  logS: -5.66222  SlogP: 5.2984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699453  Sterimol/B1: 2.48753  Sterimol/B2: 3.3394  Sterimol/B3: 4.25239
  Sterimol/B4: 6.98875  Sterimol/L: 16.4385 
 
 Surface and Volume Properties
  Accessible surface: 574.084  Positive charged surface: 319.274  Negative charged surface: 254.81  Volume: 298.25
  Hydrophobic surface: 532.707  Hydrophilic surface: 41.377
 
 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


MMs00799873
CHEMBRIDGE-ZINC04842555