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ENAMINE-ZINC03175576

 MMsINC code: MMs01295665
Type: Neutral
Formula: C16H11F2NO3
SMILES:   FC1(F)C(N(C1=O)c1cc2OCOc2cc1)c1ccccc1
InChI:   InChI=1/C16H11F2NO3/c17-16(18)14(10-4-2-1-3-5-10)19(15(16)20)11-6-7-12-13(8-11)22-9-21-12/h1-8,14H,9H2/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.8017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.264 g/mol  logS: -4.05616  SlogP: 3.6539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128816  Sterimol/B1: 2.27935  Sterimol/B2: 3.34237  Sterimol/B3: 4.47116
  Sterimol/B4: 7.06166  Sterimol/L: 13.5475 
 
 Surface and Volume Properties
  Accessible surface: 488.275  Positive charged surface: 238.42  Negative charged surface: 237.44  Volume: 256.625
  Hydrophobic surface: 326.141  Hydrophilic surface: 162.134
 
 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.