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ACROSORGANICS-ZINC01748864

 MMsINC code: MMs00011824
Type: Neutral
Formula: C7H15N
SMILES:   N1CCCCC1CC
InChI:   InChI=1/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.37001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.204 g/mol  logS: -0.64061  SlogP: 1.5385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160643  Sterimol/B1: 2.7244  Sterimol/B2: 3.06852  Sterimol/B3: 3.44387
  Sterimol/B4: 4.20922  Sterimol/L: 10.1311 
 
 Surface and Volume Properties
  Accessible surface: 312.823  Positive charged surface: 259.183  Negative charged surface: 53.64  Volume: 136.375
  Hydrophobic surface: 273.958  Hydrophilic surface: 38.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs00011825
ACROSORGANICS-ZINC01748864