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CHEMDIV-ZINC06872701

 MMsINC code: MMs01050174
Type: Neutral
Formula: C14H15FN2O3
SMILES:   Fc1ccc(cc1)-c1noc(c1)C(=O)NC(CO)(C)C
InChI:   InChI=1/C14H15FN2O3/c1-14(2,8-18)16-13(19)12-7-11(17-20-12)9-3-5-10(15)6-4-9/h3-7,18H,8H2,1-2H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=68.9889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.283 g/mol  logS: -3.47232  SlogP: 1.9814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311326  Sterimol/B1: 2.37568  Sterimol/B2: 2.85744  Sterimol/B3: 4.71455
  Sterimol/B4: 4.87355  Sterimol/L: 17.3294 
 
 Surface and Volume Properties
  Accessible surface: 502.041  Positive charged surface: 285.993  Negative charged surface: 216.048  Volume: 251.125
  Hydrophobic surface: 363.579  Hydrophilic surface: 138.462
 
 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: no related molecules available.