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NCID-ZINC05519658

 MMsINC code: MMs02470165
Type: Neutral
Formula: C8H14N2O8
SMILES:   O1CC(O)C(O)C(O)C1(O)CN(N=O)CC(O)=O
InChI:   InChI=1/C8H14N2O8/c11-4-2-18-8(16,7(15)6(4)14)3-10(9-17)1-5(12)13/h4,6-7,11,14-16H,1-3H2,(H,12,13)/t4-,6+,7+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=81.6315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.206 g/mol  logS: 0.67605  SlogP: -3.1441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172674  Sterimol/B1: 2.47179  Sterimol/B2: 3.55667  Sterimol/B3: 4.01724
  Sterimol/B4: 5.33973  Sterimol/L: 12.7044 
 
 Surface and Volume Properties
  Accessible surface: 435.03  Positive charged surface: 281.072  Negative charged surface: 153.958  Volume: 208.75
  Hydrophobic surface: 190.937  Hydrophilic surface: 244.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02470166
NCID-ZINC05519658