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ASINEX-ZINC02279604

 MMsINC code: MMs00267421
Type: Ionized
Formula: C11H14NO4-
SMILES:   o1cccc1C(=O)NCCCCCC(=O)[O-]
InChI:   InChI=1/C11H15NO4/c13-10(14)6-2-1-3-7-12-11(15)9-5-4-8-16-9/h4-5,8H,1-3,6-7H2,(H,12,15)(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=2.50337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.236 g/mol  logS: -2.0261  SlogP: 0.3197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160454  Sterimol/B1: 2.36947  Sterimol/B2: 2.37686  Sterimol/B3: 3.58432
  Sterimol/B4: 4.61617  Sterimol/L: 17.4418 
 
 Surface and Volume Properties
  Accessible surface: 471.905  Positive charged surface: 275.789  Negative charged surface: 196.116  Volume: 215.375
  Hydrophobic surface: 313.38  Hydrophilic surface: 158.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs00267420
ASINEX-ZINC02279604