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ASINEX-ZINC04011298

 MMsINC code: MMs00296101
Type: Ionized
Formula: C11H24NO2+
SMILES:   O(C)C1CCCCC1[NH2+]C(COC)C
InChI:   InChI=1/C11H23NO2/c1-9(8-13-2)12-10-6-4-5-7-11(10)14-3/h9-12H,4-8H2,1-3H3/p+1/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=32.6941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.318 g/mol  logS: -0.9015  SlogP: 0.5423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266305  Sterimol/B1: 2.32344  Sterimol/B2: 3.62543  Sterimol/B3: 5.35611
  Sterimol/B4: 6.11445  Sterimol/L: 11.9247 
 
 Surface and Volume Properties
  Accessible surface: 456.554  Positive charged surface: 409.712  Negative charged surface: 46.8426  Volume: 227.5
  Hydrophobic surface: 427.448  Hydrophilic surface: 29.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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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Parent related molecule:


MMs00296100
ASINEX-ZINC04011298