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PUBCHEM-ZINC05836388

 MMsINC code: MMs03408237
Type: Neutral
Formula: C10H15N5O5
SMILES:   OC(C(O)C(O)C(O)CO)C=1N=C2N=CN=C(N)C2N=1
InChI:   InChI=1/C10H15N5O5/c11-8-4-9(13-2-12-8)15-10(14-4)7(20)6(19)5(18)3(17)1-16/h2-7,16-20H,1H2,(H2,11,12,13,14,15)/t3-,4+,5-,6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=103.998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.26 g/mol  logS: -0.59137  SlogP: -3.9994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959543  Sterimol/B1: 2.27618  Sterimol/B2: 2.35506  Sterimol/B3: 5.25833
  Sterimol/B4: 5.54859  Sterimol/L: 14.6895 
 
 Surface and Volume Properties
  Accessible surface: 484.355  Positive charged surface: 350.452  Negative charged surface: 133.903  Volume: 240.25
  Hydrophobic surface: 129.735  Hydrophilic surface: 354.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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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Ions/Tautomers related molecules: no related molecules available.