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PUBCHEM-ZINC02168030

 MMsINC code: MMs02879415
Type: Neutral
Formula: C11H26N2O
SMILES:   OC(CNC(C)(C)C)CNC(C)(C)C
InChI:   InChI=1/C11H26N2O/c1-10(2,3)12-7-9(14)8-13-11(4,5)6/h9,12-14H,7-8H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.1213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.342 g/mol  logS: -0.88514  SlogP: 1.1235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874667  Sterimol/B1: 1.97529  Sterimol/B2: 3.218  Sterimol/B3: 3.5444
  Sterimol/B4: 5.30566  Sterimol/L: 14.571 
 
 Surface and Volume Properties
  Accessible surface: 469.893  Positive charged surface: 342  Negative charged surface: 127.893  Volume: 236.125
  Hydrophobic surface: 302.971  Hydrophilic surface: 166.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02879416
PUBCHEM-ZINC02168030