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CHEMDIV-ZINC04937492

 MMsINC code: MMs00971386
Type: Neutral
Formula: C15H15N3O6
SMILES:   o1nc(C(=O)Nc2ccccc2C(OC)=O)c([N+](=O)[O-])c1C(C)C
InChI:   InChI=1/C15H15N3O6/c1-8(2)13-12(18(21)22)11(17-24-13)14(19)16-10-7-5-4-6-9(10)15(20)23-3/h4-8H,1-3H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=85.9335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.3 g/mol  logS: -4.04303  SlogP: 2.7451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410826  Sterimol/B1: 2.88871  Sterimol/B2: 4.28283  Sterimol/B3: 4.37006
  Sterimol/B4: 6.71201  Sterimol/L: 15.5391 
 
 Surface and Volume Properties
  Accessible surface: 571.499  Positive charged surface: 327.86  Negative charged surface: 243.639  Volume: 289.375
  Hydrophobic surface: 367.94  Hydrophilic surface: 203.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.