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CHEMBRIDGE-ZINC02817807

 MMsINC code: MMs00718235
Type: Neutral
Formula: C19H14FN3O7
SMILES:   Fc1ccc(cc1)CN1C(=O)\C(=C/c2cc([N+](=O)[O-])c(O)c(OC)c2)\C(=O
)NC1=O
InChI:   InChI=1/C19H14FN3O7/c1-30-15-8-11(7-14(16(15)24)23(28)29)6-13-17(25)21-19(27)22(18(13)26)9-10-2-4-12(20)5-3-10/h2-8,24H,9H2,1H3,(H,21,25,27)/b13-6-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.5191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.333 g/mol  logS: -5.24665  SlogP: 2.3765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239365  Sterimol/B1: 1.969  Sterimol/B2: 4.08259  Sterimol/B3: 7.09435
  Sterimol/B4: 8.07122  Sterimol/L: 14.4545 
 
 Surface and Volume Properties
  Accessible surface: 615.575  Positive charged surface: 340.193  Negative charged surface: 275.382  Volume: 338
  Hydrophobic surface: 372.993  Hydrophilic surface: 242.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.