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ASINEX-ZINC00184468

 MMsINC code: MMs00087366
Type: Neutral
Formula: C11H10FNO3
SMILES:   Fc1ccc(N2CC(CC2=O)C(O)=O)cc1
InChI:   InChI=1/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/t7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.203 g/mol  logS: -1.55904  SlogP: 1.2632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323172  Sterimol/B1: 2.68358  Sterimol/B2: 2.87552  Sterimol/B3: 2.96491
  Sterimol/B4: 5.50408  Sterimol/L: 13.7253 
 
 Surface and Volume Properties
  Accessible surface: 397.799  Positive charged surface: 219.118  Negative charged surface: 178.681  Volume: 192.875
  Hydrophobic surface: 272.172  Hydrophilic surface: 125.627
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00087367
ASINEX-ZINC00184468