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VITASM-ZINC04702465

 MMsINC code: MMs03958373
Type: Neutral
Formula: C15H9FN4O4
SMILES:   Fc1cc(ccc1)C(=O)N\N=C/1\c2cc([N+](=O)[O-])ccc2NC\1=O
InChI:   InChI=1/C15H9FN4O4/c16-9-3-1-2-8(6-9)14(21)19-18-13-11-7-10(20(23)24)4-5-12(11)17-15(13)22/h1-7H,(H,19,21)(H,17,18,22)

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Potential Energy
Epot(MMFF94)=108.28 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.259 g/mol  logS: -5.27309  SlogP: 1.8201  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.53325e-07  Sterimol/B1: 2.0977  Sterimol/B2: 2.09789  Sterimol/B3: 3.92465
  Sterimol/B4: 5.77498  Sterimol/L: 17.3287 
 
 Surface and Volume Properties
  Accessible surface: 525.294  Positive charged surface: 225.209  Negative charged surface: 300.085  Volume: 267.125
  Hydrophobic surface: 311.503  Hydrophilic surface: 213.791
 
 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.