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PUBCHEM-ZINC05594769

 MMsINC code: MMs03317929
Type: Neutral
Formula: C10H15N7O2
SMILES:   OC(=O)C(N)CCCCn1nnc2c1ncnc2N
InChI:   InChI=1/C10H15N7O2/c11-6(10(18)19)3-1-2-4-17-9-7(15-16-17)8(12)13-5-14-9/h5-6H,1-4,11H2,(H,18,19)(H2,12,13,14)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=45.8878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.277 g/mol  logS: -1.04268  SlogP: -0.3479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670891  Sterimol/B1: 2.55664  Sterimol/B2: 2.95351  Sterimol/B3: 3.97593
  Sterimol/B4: 6.00803  Sterimol/L: 15.9075 
 
 Surface and Volume Properties
  Accessible surface: 493.437  Positive charged surface: 342.45  Negative charged surface: 150.987  Volume: 237
  Hydrophobic surface: 159.691  Hydrophilic surface: 333.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.