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FDA-ZINC03831236

 MMsINC code: MMs01727171
Type: Neutral
Formula: C19H25NO2
SMILES:   Oc1ccc(cc1)C(O)C(NC(CCc1ccccc1)C)C
InChI:   InChI=1/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3/t14-,15+,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -3.24645  SlogP: 3.52047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921873  Sterimol/B1: 2.026  Sterimol/B2: 2.60842  Sterimol/B3: 5.09002
  Sterimol/B4: 7.88562  Sterimol/L: 17.3933 
 
 Surface and Volume Properties
  Accessible surface: 577.51  Positive charged surface: 352.733  Negative charged surface: 224.776  Volume: 317.5
  Hydrophobic surface: 444.772  Hydrophilic surface: 132.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01727172
FDA-ZINC03831236