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ENAMINE-ZINC05114078

 MMsINC code: MMs01587992
Type: Neutral
Formula: C18H19NO4
SMILES:   O(C)c1ccc(cc1)C(OC(C(=O)NCc1ccccc1)C)=O
InChI:   InChI=1/C18H19NO4/c1-13(17(20)19-12-14-6-4-3-5-7-14)23-18(21)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.0393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.353 g/mol  logS: -4.08467  SlogP: 2.8233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453314  Sterimol/B1: 2.27306  Sterimol/B2: 2.77145  Sterimol/B3: 5.2432
  Sterimol/B4: 5.67542  Sterimol/L: 20.2678 
 
 Surface and Volume Properties
  Accessible surface: 603.307  Positive charged surface: 376.692  Negative charged surface: 226.615  Volume: 308.25
  Hydrophobic surface: 494.552  Hydrophilic surface: 108.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.