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PUBCHEM-ZINC02019716

 MMsINC code: MMs02855315
Type: Neutral
Formula: C10H21N
SMILES:   N(C(CCCCC)C)C1CC1
InChI:   InChI=1/C10H21N/c1-3-4-5-6-9(2)11-10-7-8-10/h9-11H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=4.7753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -2.31171  SlogP: 2.7072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676041  Sterimol/B1: 2.77106  Sterimol/B2: 3.08785  Sterimol/B3: 3.6879
  Sterimol/B4: 5.25157  Sterimol/L: 13.5057 
 
 Surface and Volume Properties
  Accessible surface: 427.738  Positive charged surface: 329.779  Negative charged surface: 97.9592  Volume: 195.25
  Hydrophobic surface: 334.745  Hydrophilic surface: 92.993
 
 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


MMs02855316
PUBCHEM-ZINC02019716