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NCID-ZINC01706750

 MMsINC code: MMs02335183
Type: Neutral
Formula: C10H24N2O2
SMILES:   OCC(NCCNC(CO)(C)C)(C)C
InChI:   InChI=1/C10H24N2O2/c1-9(2,7-13)11-5-6-12-10(3,4)8-14/h11-14H,5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.314 g/mol  logS: -0.02818  SlogP: -0.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969637  Sterimol/B1: 2.09088  Sterimol/B2: 3.00729  Sterimol/B3: 3.98681
  Sterimol/B4: 5.05712  Sterimol/L: 15.0184 
 
 Surface and Volume Properties
  Accessible surface: 462.12  Positive charged surface: 365.151  Negative charged surface: 96.9693  Volume: 226.375
  Hydrophobic surface: 276.602  Hydrophilic surface: 185.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02335184
NCID-ZINC01706750