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FDA-ZINC08101199

 MMsINC code: MMs01727754
Type: Ionized
Formula: C6H13N4O9+
SMILES:   O([N+](=O)[O-])CC[NH+](CCO[N+](=O)[O-])CCO[N+](=O)[O-]
InChI:   InChI=1/C6H12N4O9/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16/h1-6H2/p+1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=34.5976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.189 g/mol  logS: -2.14451  SlogP: -2.5038  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.729416  Sterimol/B1: 2.50923  Sterimol/B2: 4.3816  Sterimol/B3: 6.20004
  Sterimol/B4: 6.22404  Sterimol/L: 10.0158 
 
 Surface and Volume Properties
  Accessible surface: 454.025  Positive charged surface: 210.615  Negative charged surface: 243.41  Volume: 213.75
  Hydrophobic surface: 175.527  Hydrophilic surface: 278.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Parent related molecule:


MMs01727753
FDA-ZINC08101199