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MDPI-ZINC03852652

 MMsINC code: MMs02184027
Type: Ionized
Formula: C11H13N4O4-
SMILES:   O1C(CO)C(O)C([O-])C1n1nc(N)c2cccnc12
InChI:   InChI=1/C11H13N4O4/c12-9-5-2-1-3-13-10(5)15(14-9)11-8(18)7(17)6(4-16)19-11/h1-3,6-8,11,16-17H,4H2,(H2,12,14)/q-1/t6-,7+,8-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=64.5354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.249 g/mol  logS: -1.20878  SlogP: -0.8413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127693  Sterimol/B1: 3.52791  Sterimol/B2: 3.88908  Sterimol/B3: 4.5174
  Sterimol/B4: 6.02253  Sterimol/L: 13.2913 
 
 Surface and Volume Properties
  Accessible surface: 457.821  Positive charged surface: 305.149  Negative charged surface: 146.021  Volume: 226.625
  Hydrophobic surface: 239.71  Hydrophilic surface: 218.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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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MMs02184026
MDPI-ZINC03852652