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NCID-ZINC05202867

 MMsINC code: MMs02448443
Type: Ionized
Formula: C11H11N6O4-
SMILES:   O1C(CO)C(O)C([O-])C1n1c2N=Cn3nnnc3-c2cc1
InChI:   InChI=1/C11H11N6O4/c18-3-6-7(19)8(20)11(21-6)16-2-1-5-9(16)12-4-17-10(5)13-14-15-17/h1-2,4,6-8,11,18-19H,3H2/q-1/t6-,7+,8+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=69.4656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.247 g/mol  logS: -0.75645  SlogP: -1.1917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121457  Sterimol/B1: 2.45071  Sterimol/B2: 3.5477  Sterimol/B3: 4.71513
  Sterimol/B4: 6.21095  Sterimol/L: 14.3451 
 
 Surface and Volume Properties
  Accessible surface: 465.24  Positive charged surface: 234.969  Negative charged surface: 195.642  Volume: 233.75
  Hydrophobic surface: 244.544  Hydrophilic surface: 220.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 1  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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MMs02448442
NCID-ZINC05202867