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FDA-ZINC00000416

 MMsINC code: MMs01724767
Type: Neutral
Formula: C19H24N2O3
SMILES:   Oc1ccc(cc1C(=O)N)C(O)CNC(CCc1ccccc1)C
InChI:   InChI=1/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/t13-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.8606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -3.17136  SlogP: 2.23087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631154  Sterimol/B1: 2.06113  Sterimol/B2: 2.4226  Sterimol/B3: 5.28011
  Sterimol/B4: 7.36775  Sterimol/L: 19.1872 
 
 Surface and Volume Properties
  Accessible surface: 627.53  Positive charged surface: 395.574  Negative charged surface: 231.956  Volume: 328.875
  Hydrophobic surface: 415.57  Hydrophilic surface: 211.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01724768
FDA-ZINC00000416