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CHEMBLOCK-ZINC04125305

 MMsINC code: MMs00542825
Type: Neutral
Formula: C6H10N4O2
SMILES:   O=[N+]([O-])c1ncn(C)c1N(C)C
InChI:   InChI=1/C6H10N4O2/c1-8(2)6-5(10(11)12)7-4-9(6)3/h4H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.172 g/mol  logS: -1.22327  SlogP: 0.7535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290099  Sterimol/B1: 3.24065  Sterimol/B2: 3.48167  Sterimol/B3: 3.6391
  Sterimol/B4: 5.39532  Sterimol/L: 9.42914 
 
 Surface and Volume Properties
  Accessible surface: 342.566  Positive charged surface: 250.466  Negative charged surface: 92.0999  Volume: 152.375
  Hydrophobic surface: 235.642  Hydrophilic surface: 106.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.