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NCID-ZINC04722310

 MMsINC code: MMs02397545
Type: Neutral
Formula: C10H18N4O6
SMILES:   OC(=O)CN(N=O)CCCCCCN(N=O)CC(O)=O
InChI:   InChI=1/C10H18N4O6/c15-9(16)7-13(11-19)5-3-1-2-4-6-14(12-20)8-10(17)18/h1-8H2,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=48.144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.276 g/mol  logS: -0.78988  SlogP: 0.6828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460227  Sterimol/B1: 2.68625  Sterimol/B2: 3.19458  Sterimol/B3: 3.61926
  Sterimol/B4: 4.62556  Sterimol/L: 17.0886 
 
 Surface and Volume Properties
  Accessible surface: 539.195  Positive charged surface: 316.909  Negative charged surface: 222.286  Volume: 255.25
  Hydrophobic surface: 354.079  Hydrophilic surface: 185.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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: 0
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Ions/Tautomers related molecules


MMs02397546
NCID-ZINC04722310