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MDPI-ZINC03851289

 MMsINC code: MMs02183227
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)=38.815 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: 0.0856341  Sterimol/B1: 2.69867  Sterimol/B2: 3.88874  Sterimol/B3: 4.62547
  Sterimol/B4: 5.00928  Sterimol/L: 14.7088 
 
 Surface and Volume Properties
  Accessible surface: 491.159  Positive charged surface: 267.938  Negative charged surface: 223.221  Volume: 252.125
  Hydrophobic surface: 308.127  Hydrophilic surface: 183.032
 
 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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MMs02183226
MDPI-ZINC03851289