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PUBCHEM-ZINC04477569

 MMsINC code: MMs03124910
Type: Neutral
Formula: C10H10N4O4
SMILES:   OC(=O)c1ccccc1NN=C(C(=O)N)C(=O)N
InChI:   InChI=1/C10H10N4O4/c11-8(15)7(9(12)16)14-13-6-4-2-1-3-5(6)10(17)18/h1-4,13H,(H2,11,15)(H2,12,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=68.4565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.214 g/mol  logS: -2.06433  SlogP: -0.8767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355486  Sterimol/B1: 2.94477  Sterimol/B2: 3.17859  Sterimol/B3: 3.34947
  Sterimol/B4: 6.42818  Sterimol/L: 12.5354 
 
 Surface and Volume Properties
  Accessible surface: 437.494  Positive charged surface: 253.8  Negative charged surface: 183.694  Volume: 210.75
  Hydrophobic surface: 151.784  Hydrophilic surface: 285.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03124911
PUBCHEM-ZINC04477569