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PUBCHEM-ZINC03628555

 MMsINC code: MMs03026696
Type: Neutral
Formula: C17H15N3O6
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)n1ncc2cc([N+](=O)[O-])ccc12
InChI:   InChI=1/C17H15N3O6/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(21)19-13-5-4-12(20(22)23)6-11(13)9-18-19/h4-9H,1-3H3

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Potential Energy
Epot(MMFF94)=154.959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.322 g/mol  logS: -4.65819  SlogP: 2.6588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133413  Sterimol/B1: 2.10984  Sterimol/B2: 2.30271  Sterimol/B3: 3.05084
  Sterimol/B4: 9.34418  Sterimol/L: 17.5962 
 
 Surface and Volume Properties
  Accessible surface: 579.826  Positive charged surface: 378.407  Negative charged surface: 195.434  Volume: 308.5
  Hydrophobic surface: 440.279  Hydrophilic surface: 139.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.