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NCID-ZINC01760883

 MMsINC code: MMs02367196
Type: Ionized
Formula: C10H10NO4-
SMILES:   Oc1c(NC(=O)C)c(ccc1C)C(=O)[O-]
InChI:   InChI=1/C10H11NO4/c1-5-3-4-7(10(14)15)8(9(5)13)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.193 g/mol  logS: -1.6227  SlogP: 0.02252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191363  Sterimol/B1: 2.37893  Sterimol/B2: 2.39197  Sterimol/B3: 2.40966
  Sterimol/B4: 7.30671  Sterimol/L: 11.5495 
 
 Surface and Volume Properties
  Accessible surface: 386  Positive charged surface: 206.694  Negative charged surface: 179.306  Volume: 187.125
  Hydrophobic surface: 253.344  Hydrophilic surface: 132.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02367195
NCID-ZINC01760883