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MDPI-ZINC03852537

 MMsINC code: MMs02183938
Type: Neutral
Formula: C19H26FNO4
SMILES:   Fc1ccc(cc1)C1C(C(OCC)=O)C(NC(C)C1C(OCC)=O)C
InChI:   InChI=1/C19H26FNO4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-7-9-14(20)10-8-13/h7-12,15-17,21H,5-6H2,1-4H3/t11-,12+,15+,16-,17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.418 g/mol  logS: -3.14337  SlogP: 2.6481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.472431  Sterimol/B1: 3.32538  Sterimol/B2: 3.55265  Sterimol/B3: 6.59259
  Sterimol/B4: 6.87052  Sterimol/L: 12.5763 
 
 Surface and Volume Properties
  Accessible surface: 540.385  Positive charged surface: 368.344  Negative charged surface: 172.04  Volume: 333
  Hydrophobic surface: 441.699  Hydrophilic surface: 98.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02183939
MDPI-ZINC03852537