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LOPAC-ZINC00003718

 MMsINC code: MMs02125293
Type: Neutral
Formula: C13H8FNO5
SMILES:   Fc1ccccc1C(=O)c1cc([N+](=O)[O-])c(O)c(O)c1
InChI:   InChI=1/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H

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Potential Energy
Epot(MMFF94)=87.0746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.207 g/mol  logS: -3.819  SlogP: 2.3761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929483  Sterimol/B1: 2.50278  Sterimol/B2: 4.39892  Sterimol/B3: 4.63874
  Sterimol/B4: 4.93172  Sterimol/L: 14.0178 
 
 Surface and Volume Properties
  Accessible surface: 455.972  Positive charged surface: 200.717  Negative charged surface: 255.255  Volume: 223.5
  Hydrophobic surface: 259.348  Hydrophilic surface: 196.624
 
 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.