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PUBCHEM-ZINC05957583

 MMsINC code: MMs03460393
Type: Neutral
Formula: C10H22N2O2
SMILES:   OC(=O)C(N(C)C)CCCCN(C)C
InChI:   InChI=1/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=57.1325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: 0.01253  SlogP: 0.7331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104381  Sterimol/B1: 2.69555  Sterimol/B2: 4.12868  Sterimol/B3: 4.2016
  Sterimol/B4: 4.23854  Sterimol/L: 13.5818 
 
 Surface and Volume Properties
  Accessible surface: 455.849  Positive charged surface: 404.471  Negative charged surface: 51.3779  Volume: 220.875
  Hydrophobic surface: 374.715  Hydrophilic surface: 81.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03460394
PUBCHEM-ZINC05957583