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IBS-ZINC02232391

 MMsINC code: MMs01810769
Type: Neutral
Formula: C15H15FN2O3
SMILES:   Fc1ccccc1CN1C(=O)C=CN(C2OCCC2)C1=O
InChI:   InChI=1/C15H15FN2O3/c16-12-5-2-1-4-11(12)10-18-13(19)7-8-17(15(18)20)14-6-3-9-21-14/h1-2,4-5,7-8,14H,3,6,9-10H2/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=17.3013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.294 g/mol  logS: -2.8397  SlogP: 2.5065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10448  Sterimol/B1: 2.20887  Sterimol/B2: 4.44149  Sterimol/B3: 4.81385
  Sterimol/B4: 4.9659  Sterimol/L: 14.2025 
 
 Surface and Volume Properties
  Accessible surface: 489.571  Positive charged surface: 304.176  Negative charged surface: 185.395  Volume: 259.75
  Hydrophobic surface: 417.487  Hydrophilic surface: 72.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.