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APOLLO-ZINC00143615

 MMsINC code: MMs00043546
Type: Ionized
Formula: C10H10NO4-
SMILES:   o1cccc1CN1CC(CC1=O)C(=O)[O-]
InChI:   InChI=1/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=0.235314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.193 g/mol  logS: -1.22012  SlogP: -0.3556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171942  Sterimol/B1: 2.35532  Sterimol/B2: 4.18506  Sterimol/B3: 4.62802
  Sterimol/B4: 4.88034  Sterimol/L: 11.8072 
 
 Surface and Volume Properties
  Accessible surface: 394.18  Positive charged surface: 209.953  Negative charged surface: 184.227  Volume: 185.75
  Hydrophobic surface: 251.66  Hydrophilic surface: 142.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00043545
APOLLO-ZINC00143615