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NCID-ZINC01649608

 MMsINC code: MMs02289570
Type: Neutral
Formula: C19H22FNO2
SMILES:   Fc1ccc(Oc2ccc(cc2)C(=O)CCN(CC)CC)cc1
InChI:   InChI=1/C19H22FNO2/c1-3-21(4-2)14-13-19(22)15-5-9-17(10-6-15)23-18-11-7-16(20)8-12-18/h5-12H,3-4,13-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.388 g/mol  logS: -4.20171  SlogP: 4.5326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473679  Sterimol/B1: 2.5308  Sterimol/B2: 3.28814  Sterimol/B3: 4.07017
  Sterimol/B4: 6.52942  Sterimol/L: 18.613 
 
 Surface and Volume Properties
  Accessible surface: 603.877  Positive charged surface: 373.562  Negative charged surface: 230.315  Volume: 316.25
  Hydrophobic surface: 526.11  Hydrophilic surface: 77.767
 
 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


MMs02289571
NCID-ZINC01649608