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PUBCHEM-ZINC05689117

 MMsINC code: MMs03349415
Type: Neutral
Formula: C10H24N2O4
SMILES:   OC(C(O)C(O)CN(C)C)C(O)CN(C)C
InChI:   InChI=1/C10H24N2O4/c1-11(2)5-7(13)9(15)10(16)8(14)6-12(3)4/h7-10,13-16H,5-6H2,1-4H3/t7-,8+,9-,10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.312 g/mol  logS: 1.42384  SlogP: -2.4468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0630935  Sterimol/B1: 2.55628  Sterimol/B2: 3.03783  Sterimol/B3: 3.71687
  Sterimol/B4: 4.22035  Sterimol/L: 15.7141 
 
 Surface and Volume Properties
  Accessible surface: 483.308  Positive charged surface: 429.133  Negative charged surface: 54.1759  Volume: 240.25
  Hydrophobic surface: 358.217  Hydrophilic surface: 125.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03349416
PUBCHEM-ZINC05689117