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MAYBRIDGE-ZINC04093877

 MMsINC code: MMs02162474
Type: Neutral
Formula: C10H10N4O3
SMILES:   o1nc2c(n1)c([N+](=O)[O-])ccc2N1CCCC1
InChI:   InChI=1/C10H10N4O3/c15-14(16)8-4-3-7(13-5-1-2-6-13)9-10(8)12-17-11-9/h3-4H,1-2,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.215 g/mol  logS: -3.10955  SlogP: 1.7312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101467  Sterimol/B1: 2.89602  Sterimol/B2: 3.50222  Sterimol/B3: 3.50952
  Sterimol/B4: 5.72386  Sterimol/L: 12.5454 
 
 Surface and Volume Properties
  Accessible surface: 407.558  Positive charged surface: 236.123  Negative charged surface: 171.435  Volume: 196.875
  Hydrophobic surface: 217.314  Hydrophilic surface: 190.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.