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ASINEX-ZINC04712907

 MMsINC code: MMs00362361
Type: Neutral
Formula: C11H9FN2O3
SMILES:   Fc1cc2c([nH]c(C(O)=O)c2NC(=O)C)cc1
InChI:   InChI=1/C11H9FN2O3/c1-5(15)13-9-7-4-6(12)2-3-8(7)14-10(9)11(16)17/h2-4,14H,1H3,(H,13,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=31.6292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.202 g/mol  logS: -2.30153  SlogP: 1.9636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391298  Sterimol/B1: 2.68772  Sterimol/B2: 2.81613  Sterimol/B3: 3.07551
  Sterimol/B4: 7.8642  Sterimol/L: 11.6202 
 
 Surface and Volume Properties
  Accessible surface: 418.254  Positive charged surface: 220.955  Negative charged surface: 193.668  Volume: 199.125
  Hydrophobic surface: 254.145  Hydrophilic surface: 164.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00362362
ASINEX-ZINC04712907