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APOLLO-ZINC00299464

 MMsINC code: MMs00048664
Type: Neutral
Formula: C11H22N2
SMILES:   N1CCC(N2CC(CCC2)C)CC1
InChI:   InChI=1/C11H22N2/c1-10-3-2-8-13(9-10)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=14.4065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.311 g/mol  logS: -0.76367  SlogP: 1.4703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132656  Sterimol/B1: 2.24015  Sterimol/B2: 2.93236  Sterimol/B3: 3.66613
  Sterimol/B4: 5.56057  Sterimol/L: 12.2031 
 
 Surface and Volume Properties
  Accessible surface: 406.916  Positive charged surface: 352.556  Negative charged surface: 54.36  Volume: 208.125
  Hydrophobic surface: 353.302  Hydrophilic surface: 53.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00048665
APOLLO-ZINC00299464