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ACDBLOCKS-ZINC04234859

 MMsINC code: MMs00002120
Type: Neutral
Formula: C12H24N2
SMILES:   N1CCCCC1CN1CCCCC1C
InChI:   InChI=1/C12H24N2/c1-11-6-3-5-9-14(11)10-12-7-2-4-8-13-12/h11-13H,2-10H2,1H3/t11-,12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.338 g/mol  logS: -1.09088  SlogP: 2.0029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149287  Sterimol/B1: 2.0712  Sterimol/B2: 3.15791  Sterimol/B3: 4.18149
  Sterimol/B4: 6.57138  Sterimol/L: 12.2814 
 
 Surface and Volume Properties
  Accessible surface: 429.749  Positive charged surface: 362.063  Negative charged surface: 67.6862  Volume: 225.875
  Hydrophobic surface: 400.02  Hydrophilic surface: 29.729
 
 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


MMs00002121
ACDBLOCKS-ZINC04234859