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ENAMINE-ZINC04218735

 MMsINC code: MMs01535740
Type: Neutral
Formula: C11H13NO6
SMILES:   O(CC(=O)N)c1c(OC)cc(cc1OC)C(O)=O
InChI:   InChI=1/C11H13NO6/c1-16-7-3-6(11(14)15)4-8(17-2)10(7)18-5-9(12)13/h3-4H,5H2,1-2H3,(H2,12,13)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.1572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.226 g/mol  logS: -1.78398  SlogP: 0.2661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055027  Sterimol/B1: 2.3051  Sterimol/B2: 2.86148  Sterimol/B3: 3.20555
  Sterimol/B4: 9.5393  Sterimol/L: 14.0121 
 
 Surface and Volume Properties
  Accessible surface: 479.807  Positive charged surface: 353.641  Negative charged surface: 126.166  Volume: 222.625
  Hydrophobic surface: 251.812  Hydrophilic surface: 227.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01535741
ENAMINE-ZINC04218735