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PUBCHEM-ZINC05820691

 MMsINC code: MMs03399665
Type: Neutral
Formula: C10H23N
SMILES:   N(C(CCC)C)CCCCC
InChI:   InChI=1/C10H23N/c1-4-6-7-9-11-10(3)8-5-2/h10-11H,4-9H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.88289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.28831  SlogP: 2.9548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527491  Sterimol/B1: 2.65032  Sterimol/B2: 3.24553  Sterimol/B3: 3.88229
  Sterimol/B4: 4.90144  Sterimol/L: 14.5004 
 
 Surface and Volume Properties
  Accessible surface: 436.753  Positive charged surface: 346.388  Negative charged surface: 90.3646  Volume: 201.375
  Hydrophobic surface: 362.285  Hydrophilic surface: 74.468
 
 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


MMs03399666
PUBCHEM-ZINC05820691