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NCID-ZINC01688372

 MMsINC code: MMs02320960
Type: Neutral
Formula: C6H14N2O2
SMILES:   OC(=O)C(NN)C(CC)C
InChI:   InChI=1/C6H14N2O2/c1-3-4(2)5(8-7)6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: -0.50364  SlogP: -0.051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210333  Sterimol/B1: 2.55221  Sterimol/B2: 3.71597  Sterimol/B3: 3.92526
  Sterimol/B4: 4.73956  Sterimol/L: 9.51162 
 
 Surface and Volume Properties
  Accessible surface: 334.138  Positive charged surface: 238.744  Negative charged surface: 95.3936  Volume: 148.5
  Hydrophobic surface: 135.938  Hydrophilic surface: 198.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02320961
NCID-ZINC01688372