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PUBCHEM-ZINC06403278

 MMsINC code: MMs03707891
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)C(N1CCCCCC1)C)CC
InChI:   InChI=1/C11H21NO2/c1-3-14-11(13)10(2)12-8-6-4-5-7-9-12/h10H,3-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.50694  SlogP: 1.814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129415  Sterimol/B1: 3.41991  Sterimol/B2: 3.63642  Sterimol/B3: 3.73042
  Sterimol/B4: 4.34331  Sterimol/L: 13.2896 
 
 Surface and Volume Properties
  Accessible surface: 429.544  Positive charged surface: 339.725  Negative charged surface: 89.8187  Volume: 213.75
  Hydrophobic surface: 367.718  Hydrophilic surface: 61.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03707892
PUBCHEM-ZINC06403278