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OAKWOOD-ZINC04299188

 MMsINC code: MMs02552783
Type: Ionized
Formula: C10H21N2+
SMILES:   [NH+]1(CCC(CC1)C)C1CCNC1
InChI:   InChI=1/C10H20N2/c1-9-3-6-12(7-4-9)10-2-5-11-8-10/h9-11H,2-8H2,1H3/p+1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=27.4705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.292 g/mol  logS: -0.85096  SlogP: -0.3369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088756  Sterimol/B1: 2.57727  Sterimol/B2: 3.48966  Sterimol/B3: 3.59854
  Sterimol/B4: 3.66661  Sterimol/L: 12.2688 
 
 Surface and Volume Properties
  Accessible surface: 391.322  Positive charged surface: 347.19  Negative charged surface: 44.1315  Volume: 196.75
  Hydrophobic surface: 322.352  Hydrophilic surface: 68.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs02552781
OAKWOOD-ZINC04299188