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ACROSORGANICS-ZINC01666746

 MMsINC code: MMs00010429
Type: Neutral
Formula: C8H19N
SMILES:   N(CCCC)CCCC
InChI:   InChI=1/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=-7.49687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.247 g/mol  logS: -1.44588  SlogP: 2.1762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385415  Sterimol/B1: 2.19348  Sterimol/B2: 2.42871  Sterimol/B3: 2.51432
  Sterimol/B4: 3.12214  Sterimol/L: 14.659 
 
 Surface and Volume Properties
  Accessible surface: 392.124  Positive charged surface: 321.836  Negative charged surface: 70.2879  Volume: 169.125
  Hydrophobic surface: 327.215  Hydrophilic surface: 64.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00010430
ACROSORGANICS-ZINC01666746