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PUBCHEM-ZINC02036658

 MMsINC code: MMs02861386
Type: Neutral
Formula: C6H14N2O2
SMILES:   OC(=O)C(NN)CC(C)C
InChI:   InChI=1/C6H14N2O2/c1-4(2)3-5(8-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.81709  SlogP: -0.051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248034  Sterimol/B1: 2.22788  Sterimol/B2: 3.07327  Sterimol/B3: 4.14903
  Sterimol/B4: 5.06548  Sterimol/L: 9.82607 
 
 Surface and Volume Properties
  Accessible surface: 339.35  Positive charged surface: 243.821  Negative charged surface: 95.5288  Volume: 148.875
  Hydrophobic surface: 136.369  Hydrophilic surface: 202.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02861387
PUBCHEM-ZINC02036658