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ENAMINE-ZINC05444809

 MMsINC code: MMs01613765
Type: Neutral
Formula: C11H11N5O5
SMILES:   o1nc2c(n1)c([N+](=O)[O-])cc([N+](=O)[O-])c2N1CCCCC1
InChI:   InChI=1/C11H11N5O5/c17-15(18)7-6-8(16(19)20)11(10-9(7)12-21-13-10)14-4-2-1-3-5-14/h6H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.239 g/mol  logS: -4.10155  SlogP: 2.0295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117104  Sterimol/B1: 3.53141  Sterimol/B2: 3.70351  Sterimol/B3: 4.29946
  Sterimol/B4: 5.9746  Sterimol/L: 13.4885 
 
 Surface and Volume Properties
  Accessible surface: 441.323  Positive charged surface: 228.627  Negative charged surface: 212.696  Volume: 229.25
  Hydrophobic surface: 213.806  Hydrophilic surface: 227.517
 
 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.