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ENAMINE-ZINC03268152

 MMsINC code: MMs01340786
Type: Neutral
Formula: C9H16N4O2
SMILES:   O=C1NC(=O)N(CCCC)C(N)=C1NC
InChI:   InChI=1/C9H16N4O2/c1-3-4-5-13-7(10)6(11-2)8(14)12-9(13)15/h11H,3-5,10H2,1-2H3,(H,12,14,15)

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Potential Energy
Epot(MMFF94)=19.4339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.253 g/mol  logS: -1.22987  SlogP: -0.3145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732829  Sterimol/B1: 2.13917  Sterimol/B2: 3.17611  Sterimol/B3: 4.15038
  Sterimol/B4: 5.07605  Sterimol/L: 13.6246 
 
 Surface and Volume Properties
  Accessible surface: 417.61  Positive charged surface: 324.872  Negative charged surface: 92.7388  Volume: 200.875
  Hydrophobic surface: 233.331  Hydrophilic surface: 184.279
 
 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.