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ENAMINE-ZINC04206022

 MMsINC code: MMs01533931
Type: Neutral
Formula: C8H14N4O3
SMILES:   O=C1N(CCC(=O)NN)C(=O)NC1(C)C
InChI:   InChI=1/C8H14N4O3/c1-8(2)6(14)12(7(15)10-8)4-3-5(13)11-9/h3-4,9H2,1-2H3,(H,10,15)(H,11,13)

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Potential Energy
Epot(MMFF94)=23.9442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.225 g/mol  logS: -0.82932  SlogP: -1.3032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936305  Sterimol/B1: 2.78774  Sterimol/B2: 2.92302  Sterimol/B3: 4.15204
  Sterimol/B4: 4.64215  Sterimol/L: 13.7303 
 
 Surface and Volume Properties
  Accessible surface: 419.194  Positive charged surface: 277.08  Negative charged surface: 142.114  Volume: 193.375
  Hydrophobic surface: 154.301  Hydrophilic surface: 264.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.