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PUBCHEM-ZINC05932726

 MMsINC code: MMs03450647
Type: Neutral
Formula: C10H13N5O3
SMILES:   O(CCO)Cn1cc(c2c1ncnc2N)C(=O)N
InChI:   InChI=1/C10H13N5O3/c11-8-7-6(9(12)17)3-15(5-18-2-1-16)10(7)14-4-13-8/h3-4,16H,1-2,5H2,(H2,12,17)(H2,11,13,14)

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Potential Energy
Epot(MMFF94)=27.0363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.246 g/mol  logS: -1.63857  SlogP: -0.6548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247457  Sterimol/B1: 2.45261  Sterimol/B2: 2.85554  Sterimol/B3: 4.86002
  Sterimol/B4: 6.14395  Sterimol/L: 13.9616 
 
 Surface and Volume Properties
  Accessible surface: 466.847  Positive charged surface: 354.16  Negative charged surface: 107.476  Volume: 219.5
  Hydrophobic surface: 176.206  Hydrophilic surface: 290.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.