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ENAMINE-ZINC03394971

 MMsINC code: MMs01416265
Type: Neutral
Formula: C16H23NO5
SMILES:   O(C)c1cccc(OC)c1C(OCC(=O)NC(CCC)C)=O
InChI:   InChI=1/C16H23NO5/c1-5-7-11(2)17-14(18)10-22-16(19)15-12(20-3)8-6-9-13(15)21-4/h6,8-9,11H,5,7,10H2,1-4H3,(H,17,18)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.3236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.362 g/mol  logS: -3.41135  SlogP: 2.1654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441238  Sterimol/B1: 3.45607  Sterimol/B2: 3.7854  Sterimol/B3: 4.38452
  Sterimol/B4: 7.37636  Sterimol/L: 17.0036 
 
 Surface and Volume Properties
  Accessible surface: 616.414  Positive charged surface: 455.457  Negative charged surface: 160.957  Volume: 306.75
  Hydrophobic surface: 487.956  Hydrophilic surface: 128.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.