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NCID-ZINC01717279

 MMsINC code: MMs02342774
Type: Neutral
Formula: C10H21NO
SMILES:   OC(CNC1CCC(CC1)C)C
InChI:   InChI=1/C10H21NO/c1-8-3-5-10(6-4-8)11-7-9(2)12/h8-12H,3-7H2,1-2H3/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=19.5099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.46851  SlogP: 1.5355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814709  Sterimol/B1: 2.96658  Sterimol/B2: 3.22673  Sterimol/B3: 3.52592
  Sterimol/B4: 4.31714  Sterimol/L: 13.7195 
 
 Surface and Volume Properties
  Accessible surface: 413.698  Positive charged surface: 329.8  Negative charged surface: 83.898  Volume: 196.75
  Hydrophobic surface: 309.974  Hydrophilic surface: 103.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02342775
NCID-ZINC01717279