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CHEMDIV-ZINC00184465

 MMsINC code: MMs00836609
Type: Neutral
Formula: C6H10N4O2
SMILES:   O=C1NC2NC(=O)N(C2N1C)C
InChI:   InChI=1/C6H10N4O2/c1-9-4-3(7-5(9)11)8-6(12)10(4)2/h3-4H,1-2H3,(H,7,11)(H,8,12)/t3-,4+

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Potential Energy
Epot(MMFF94)=-22.7593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.172 g/mol  logS: 0.53472  SlogP: -1.0514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210752  Sterimol/B1: 2.78035  Sterimol/B2: 2.92178  Sterimol/B3: 3.40035
  Sterimol/B4: 6.24047  Sterimol/L: 7.95318 
 
 Surface and Volume Properties
  Accessible surface: 333.015  Positive charged surface: 262.967  Negative charged surface: 70.0478  Volume: 148.875
  Hydrophobic surface: 168.269  Hydrophilic surface: 164.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.