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ACDBLOCKS-ZINC04234814

 MMsINC code: MMs00002080
Type: Neutral
Formula: C11H22N2
SMILES:   N1CCCCC1C1N(CCCC1)C
InChI:   InChI=1/C11H22N2/c1-13-9-5-3-7-11(13)10-6-2-4-8-12-10/h10-12H,2-9H2,1H3/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=23.4995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.311 g/mol  logS: -0.76367  SlogP: 1.6128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183101  Sterimol/B1: 2.25445  Sterimol/B2: 2.80159  Sterimol/B3: 4.09675
  Sterimol/B4: 6.42688  Sterimol/L: 11.8292 
 
 Surface and Volume Properties
  Accessible surface: 397.156  Positive charged surface: 353.259  Negative charged surface: 43.8973  Volume: 208.5
  Hydrophobic surface: 377.893  Hydrophilic surface: 19.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs00002081
ACDBLOCKS-ZINC04234814