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OAKWOOD-ZINC02583419

 MMsINC code: MMs02547126
Type: Neutral
Formula: C11H22N2O2
SMILES:   O(C(C)(C)C)C(=O)N(C)C1CCNCC1
InChI:   InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9/h9,12H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=17.8902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.03489  SlogP: 1.6053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142338  Sterimol/B1: 2.25339  Sterimol/B2: 2.39797  Sterimol/B3: 4.85365
  Sterimol/B4: 4.9944  Sterimol/L: 13.3164 
 
 Surface and Volume Properties
  Accessible surface: 455.468  Positive charged surface: 369.528  Negative charged surface: 85.9406  Volume: 228.75
  Hydrophobic surface: 357.3  Hydrophilic surface: 98.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02547127
OAKWOOD-ZINC02583419