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CHEMBLOCK-ZINC00265776

 MMsINC code: MMs00503542
Type: Neutral
Formula: C12H8F2N2O3
SMILES:   Fc1cc(F)ccc1Oc1cc(N)cc([N+](=O)[O-])c1
InChI:   InChI=1/C12H8F2N2O3/c13-7-1-2-12(11(14)3-7)19-10-5-8(15)4-9(6-10)16(17)18/h1-6H,15H2

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Potential Energy
Epot(MMFF94)=69.0354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.203 g/mol  logS: -4.26866  SlogP: 3.2475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135342  Sterimol/B1: 2.55547  Sterimol/B2: 4.64795  Sterimol/B3: 5.25383
  Sterimol/B4: 5.5788  Sterimol/L: 12.6872 
 
 Surface and Volume Properties
  Accessible surface: 446.251  Positive charged surface: 195.71  Negative charged surface: 250.541  Volume: 213.625
  Hydrophobic surface: 302.87  Hydrophilic surface: 143.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.