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APOLLO-ZINC02386466

 MMsINC code: MMs00052018
Type: Neutral
Formula: C10H7FN2O2
SMILES:   Fc1n(ncc1C(O)=O)-c1ccccc1
InChI:   InChI=1/C10H7FN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15)

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Potential Energy
Epot(MMFF94)=39.7444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.176 g/mol  logS: -2.11443  SlogP: 1.7096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181773  Sterimol/B1: 2.37345  Sterimol/B2: 2.62896  Sterimol/B3: 3.50897
  Sterimol/B4: 3.90191  Sterimol/L: 13.4383 
 
 Surface and Volume Properties
  Accessible surface: 387.311  Positive charged surface: 192.363  Negative charged surface: 194.949  Volume: 177.625
  Hydrophobic surface: 274.149  Hydrophilic surface: 113.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00052019
APOLLO-ZINC02386466