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MAYBRIDGE-ZINC04301115

 MMsINC code: MMs02164286
Type: Ionized
Formula: C10H20NO+
SMILES:   OC1C2[NH+](CCCC2CCC1)C
InChI:   InChI=1/C10H19NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h8-10,12H,2-7H2,1H3/p+1/t8-,9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=28.0137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.276 g/mol  logS: -0.64436  SlogP: -0.1755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151482  Sterimol/B1: 2.12709  Sterimol/B2: 2.81422  Sterimol/B3: 2.88376
  Sterimol/B4: 6.78095  Sterimol/L: 10.0735 
 
 Surface and Volume Properties
  Accessible surface: 370.862  Positive charged surface: 333.367  Negative charged surface: 37.4948  Volume: 188.25
  Hydrophobic surface: 302.753  Hydrophilic surface: 68.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs02164285
MAYBRIDGE-ZINC04301115