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PUBCHEM-ZINC05503402

 MMsINC code: MMs03290139
Type: Neutral
Formula: C10H15N5O2
SMILES:   O=C1N=C(NC=2N(CC(=NC1=2)CC(O)C)C)N
InChI:   InChI=1/C10H15N5O2/c1-5(16)3-6-4-15(2)8-7(12-6)9(17)14-10(11)13-8/h5,16H,3-4H2,1-2H3,(H3,11,13,14,17)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=51.4001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.263 g/mol  logS: -1.51356  SlogP: -1.2427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513719  Sterimol/B1: 3.19238  Sterimol/B2: 3.19418  Sterimol/B3: 4.40977
  Sterimol/B4: 5.3407  Sterimol/L: 13.4901 
 
 Surface and Volume Properties
  Accessible surface: 450.794  Positive charged surface: 352.675  Negative charged surface: 98.119  Volume: 218.875
  Hydrophobic surface: 213.027  Hydrophilic surface: 237.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.