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NCID-ZINC05028425

 MMsINC code: MMs02429627
Type: Neutral
Formula: C14H14N4O7
SMILES:   O(C(=O)CNC(=O)CN1C(=O)C(N)CC1=O)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H14N4O7/c15-10-5-12(20)17(14(10)22)7-11(19)16-6-13(21)25-9-3-1-8(2-4-9)18(23)24/h1-4,10H,5-7,15H2,(H,16,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=78.7067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.287 g/mol  logS: -2.86985  SlogP: -1.2974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294152  Sterimol/B1: 2.86523  Sterimol/B2: 3.08626  Sterimol/B3: 3.83835
  Sterimol/B4: 5.10183  Sterimol/L: 19.1268 
 
 Surface and Volume Properties
  Accessible surface: 581.393  Positive charged surface: 311.396  Negative charged surface: 269.997  Volume: 288.75
  Hydrophobic surface: 279.044  Hydrophilic surface: 302.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.