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PUBCHEM-ZINC04202419

 MMsINC code: MMs03098772
Type: Neutral
Formula: C11H22N2O2
SMILES:   O(C(C)(C)C)C(=O)NCC1NCCCC1
InChI:   InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=12.9153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.34265  SlogP: 1.6532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643406  Sterimol/B1: 2.56262  Sterimol/B2: 2.63614  Sterimol/B3: 4.21106
  Sterimol/B4: 5.18286  Sterimol/L: 14.5451 
 
 Surface and Volume Properties
  Accessible surface: 467.307  Positive charged surface: 366.996  Negative charged surface: 100.312  Volume: 229.375
  Hydrophobic surface: 350.453  Hydrophilic surface: 116.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03098773
PUBCHEM-ZINC04202419