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NCID-ZINC05503672

 MMsINC code: MMs02469278
Type: Neutral
Formula: C10H15N5O3
SMILES:   O=C1N=C(NC(N)=C1N1CCN(CC1)C(O)=O)C
InChI:   InChI=1/C10H15N5O3/c1-6-12-8(11)7(9(16)13-6)14-2-4-15(5-3-14)10(17)18/h2-5H2,1H3,(H,17,18)(H3,11,12,13,16)

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Potential Energy
Epot(MMFF94)=51.9468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.262 g/mol  logS: -0.56343  SlogP: -1.042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881087  Sterimol/B1: 3.13978  Sterimol/B2: 3.27829  Sterimol/B3: 3.7538
  Sterimol/B4: 4.96161  Sterimol/L: 14.4439 
 
 Surface and Volume Properties
  Accessible surface: 441.724  Positive charged surface: 329.261  Negative charged surface: 112.463  Volume: 222.125
  Hydrophobic surface: 205.922  Hydrophilic surface: 235.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.