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PUBCHEM-ZINC02530739

 MMsINC code: MMs02894671
Type: Neutral
Formula: C6H10N4O2
SMILES:   O=C1NC(=O)N(C)C(N)=C1NC
InChI:   InChI=1/C6H10N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h8H,7H2,1-2H3,(H,9,11,12)

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Potential Energy
Epot(MMFF94)=21.2485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.172 g/mol  logS: -0.18567  SlogP: -1.4848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273072  Sterimol/B1: 2.37579  Sterimol/B2: 2.51455  Sterimol/B3: 3.74083
  Sterimol/B4: 4.57878  Sterimol/L: 10.6253 
 
 Surface and Volume Properties
  Accessible surface: 334.304  Positive charged surface: 269.431  Negative charged surface: 64.8728  Volume: 148.25
  Hydrophobic surface: 157.48  Hydrophilic surface: 176.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.