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CHEMBRIDGE-ZINC00314957

 MMsINC code: MMs00607288
Type: Neutral
Formula: C16H17FN2O4
SMILES:   FC1=CN(CCC(OCC)=O)C(=O)N(Cc2ccccc2)C1=O
InChI:   InChI=1/C16H17FN2O4/c1-2-23-14(20)8-9-18-11-13(17)15(21)19(16(18)22)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3

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Potential Energy
Epot(MMFF94)=20.4294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.32 g/mol  logS: -2.97551  SlogP: 2.5902  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0539357  Sterimol/B1: 3.00514  Sterimol/B2: 4.15776  Sterimol/B3: 4.2646
  Sterimol/B4: 6.34196  Sterimol/L: 17.8638 
 
 Surface and Volume Properties
  Accessible surface: 562.064  Positive charged surface: 342.34  Negative charged surface: 219.724  Volume: 291.375
  Hydrophobic surface: 440.925  Hydrophilic surface: 121.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.