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PUBCHEM-ZINC05821689

 MMsINC code: MMs03400738
Type: Neutral
Formula: C10H19N
SMILES:   N(C(CCCC)C)(CC#C)C
InChI:   InChI=1/C10H19N/c1-5-7-8-10(3)11(4)9-6-2/h2,10H,5,7-9H2,1,3-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=23.0816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -2.29371  SlogP: 2.13011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143195  Sterimol/B1: 3.12411  Sterimol/B2: 3.56341  Sterimol/B3: 4.03392
  Sterimol/B4: 5.79338  Sterimol/L: 11.9917 
 
 Surface and Volume Properties
  Accessible surface: 401.929  Positive charged surface: 278.103  Negative charged surface: 123.826  Volume: 192.125
  Hydrophobic surface: 338.651  Hydrophilic surface: 63.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03400739
PUBCHEM-ZINC05821689