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PUBCHEM-ZINC02028305

 MMsINC code: MMs02858139
Type: Neutral
Formula: C14H19NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(NC(=O)C)C(O)=O
InChI:   InChI=1/C14H19NO6/c1-8(16)15-10(14(17)18)5-9-6-11(19-2)13(21-4)12(7-9)20-3/h6-7,10H,5H2,1-4H3,(H,15,16)(H,17,18)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.6741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.307 g/mol  logS: -1.74682  SlogP: 0.84417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16247  Sterimol/B1: 2.49508  Sterimol/B2: 3.88334  Sterimol/B3: 5.41692
  Sterimol/B4: 7.40839  Sterimol/L: 13.4514 
 
 Surface and Volume Properties
  Accessible surface: 533.71  Positive charged surface: 400.038  Negative charged surface: 133.673  Volume: 276.25
  Hydrophobic surface: 388.889  Hydrophilic surface: 144.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs02858140
PUBCHEM-ZINC02028305