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IBS-ZINC00526840

 MMsINC code: MMs01746643
Type: Neutral
Formula: C10H20NO+
SMILES:   OC1CC2[N+](C(C1)CCC2)(C)C
InChI:   InChI=1/C10H20NO/c1-11(2)8-4-3-5-9(11)7-10(12)6-8/h8-10,12H,3-7H2,1-2H3/q+1/t8-,9+,10-

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Potential Energy
Epot(MMFF94)=53.3373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.276 g/mol  logS: -0.46204  SlogP: 1.1386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.563491  Sterimol/B1: 1.969  Sterimol/B2: 3.61293  Sterimol/B3: 3.73123
  Sterimol/B4: 6.75142  Sterimol/L: 9.47136 
 
 Surface and Volume Properties
  Accessible surface: 346.748  Positive charged surface: 297.078  Negative charged surface: 49.6693  Volume: 182.125
  Hydrophobic surface: 267.151  Hydrophilic surface: 79.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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: no related molecules available.