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CHEMDIV-ZINC00947080

 MMsINC code: MMs00859802
Type: Ionized
Formula: C19H20NO6-
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NC(Cc1ccccc1)C(=O)[O-]
InChI:   InChI=1/C19H21NO6/c1-24-15-10-13(11-16(25-2)17(15)26-3)18(21)20-14(19(22)23)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.37 g/mol  logS: -3.76781  SlogP: 0.80337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203637  Sterimol/B1: 2.11519  Sterimol/B2: 3.09582  Sterimol/B3: 6.6282
  Sterimol/B4: 8.82315  Sterimol/L: 14.8701 
 
 Surface and Volume Properties
  Accessible surface: 616.995  Positive charged surface: 426.085  Negative charged surface: 190.91  Volume: 337.75
  Hydrophobic surface: 492.914  Hydrophilic surface: 124.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs00859801
CHEMDIV-ZINC00947080