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ASINEX-ZINC04512120

 MMsINC code: MMs00346607
Type: Neutral
Formula: C11H10FNO3
SMILES:   Fc1ccc(cc1)C1=NOC(C1)(C(O)=O)C
InChI:   InChI=1/C11H10FNO3/c1-11(10(14)15)6-9(13-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,14,15)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=47.3463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.203 g/mol  logS: -2.56613  SlogP: 1.7934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873778  Sterimol/B1: 1.99216  Sterimol/B2: 3.47283  Sterimol/B3: 4.07822
  Sterimol/B4: 4.41841  Sterimol/L: 13.588 
 
 Surface and Volume Properties
  Accessible surface: 409.3  Positive charged surface: 205.883  Negative charged surface: 203.417  Volume: 194
  Hydrophobic surface: 263.804  Hydrophilic surface: 145.496
 
 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


MMs00346608
ASINEX-ZINC04512120