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ACROSORGANICS-ZINC01531059

 MMsINC code: MMs00008970
Type: Neutral
Formula: C6H15N
SMILES:   NCCCCCC
InChI:   InChI=1/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3

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Potential Energy
Epot(MMFF94)=-5.34819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 101.193 g/mol  logS: -1.35654  SlogP: 1.5254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627985  Sterimol/B1: 2.35438  Sterimol/B2: 2.54432  Sterimol/B3: 2.57164
  Sterimol/B4: 3.07443  Sterimol/L: 11.9595 
 
 Surface and Volume Properties
  Accessible surface: 326.272  Positive charged surface: 271.943  Negative charged surface: 54.3291  Volume: 131.625
  Hydrophobic surface: 235.5  Hydrophilic surface: 90.772
 
 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


MMs00008971
ACROSORGANICS-ZINC01531059