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ACDBLOCKS-ZINC03732240

 MMsINC code: MMs00001433
Type: Neutral
Formula: C10H20N2
SMILES:   N1CCCC1C1N(CCCC1)C
InChI:   InChI=1/C10H20N2/c1-12-8-3-2-6-10(12)9-5-4-7-11-9/h9-11H,2-8H2,1H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=27.8743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.284 g/mol  logS: -0.5619  SlogP: 1.2227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191584  Sterimol/B1: 2.15984  Sterimol/B2: 3.20539  Sterimol/B3: 3.33882
  Sterimol/B4: 6.58616  Sterimol/L: 10.7837 
 
 Surface and Volume Properties
  Accessible surface: 378.169  Positive charged surface: 336.975  Negative charged surface: 41.1948  Volume: 190
  Hydrophobic surface: 354.207  Hydrophilic surface: 23.962
 
 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


MMs00001434
ACDBLOCKS-ZINC03732240