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PUBCHEM-ZINC05932724

 MMsINC code: MMs03450645
Type: Neutral
Formula: C11H15N5O4
SMILES:   O(C(CO)CO)Cn1cc(c2c1ncnc2N)C(=O)N
InChI:   InChI=1/C11H15N5O4/c12-9-8-7(10(13)19)1-16(11(8)15-4-14-9)5-20-6(2-17)3-18/h1,4,6,17-18H,2-3,5H2,(H2,13,19)(H2,12,14,15)

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Potential Energy
Epot(MMFF94)=53.1328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.272 g/mol  logS: -1.43603  SlogP: -1.2939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671574  Sterimol/B1: 3.48975  Sterimol/B2: 3.93938  Sterimol/B3: 4.76124
  Sterimol/B4: 6.2833  Sterimol/L: 13.7827 
 
 Surface and Volume Properties
  Accessible surface: 501.035  Positive charged surface: 388.876  Negative charged surface: 106.948  Volume: 244.375
  Hydrophobic surface: 179.93  Hydrophilic surface: 321.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.