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NCID-ZINC02025405

 MMsINC code: MMs02378127
Type: Neutral
Formula: C6H10N4O3
SMILES:   O=C1N(C)C(=O)NC1NC(=O)NC
InChI:   InChI=1/C6H10N4O3/c1-7-5(12)8-3-4(11)10(2)6(13)9-3/h3H,1-2H3,(H,9,13)(H2,7,8,12)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-41.4088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.171 g/mol  logS: 0.07099  SlogP: -1.5769  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0635453  Sterimol/B1: 2.66081  Sterimol/B2: 3.1835  Sterimol/B3: 3.43418
  Sterimol/B4: 3.88404  Sterimol/L: 12.7346 
 
 Surface and Volume Properties
  Accessible surface: 377.634  Positive charged surface: 284.784  Negative charged surface: 92.8501  Volume: 160.5
  Hydrophobic surface: 181.244  Hydrophilic surface: 196.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.