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MDPI-ZINC03851287

 MMsINC code: MMs02183225
Type: Ionized
Formula: C15H14NO4-
SMILES:   O1C2C=CC1C(C(=O)[O-])C2C(=O)NCc1ccccc1
InChI:   InChI=1/C15H15NO4/c17-14(16-8-9-4-2-1-3-5-9)12-10-6-7-11(20-10)13(12)15(18)19/h1-7,10-13H,8H2,(H,16,17)(H,18,19)/p-1/t10-,11+,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=29.6399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.28 g/mol  logS: -2.2464  SlogP: -0.1113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647677  Sterimol/B1: 2.32695  Sterimol/B2: 4.00212  Sterimol/B3: 4.1527
  Sterimol/B4: 4.72283  Sterimol/L: 14.4017 
 
 Surface and Volume Properties
  Accessible surface: 477.499  Positive charged surface: 270.285  Negative charged surface: 207.214  Volume: 249.125
  Hydrophobic surface: 318.187  Hydrophilic surface: 159.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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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MMs02183224
MDPI-ZINC03851287