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NCID-ZINC01693461

 MMsINC code: MMs02324944
Type: Neutral
Formula: C11H25NO
SMILES:   OC(C(CC)CC)CCCN(C)C
InChI:   InChI=1/C11H25NO/c1-5-10(6-2)11(13)8-7-9-12(3)4/h10-11,13H,5-9H2,1-4H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=36.4269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.327 g/mol  logS: -1.45062  SlogP: 2.1253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114843  Sterimol/B1: 2.29344  Sterimol/B2: 2.39314  Sterimol/B3: 4.6046
  Sterimol/B4: 6.25985  Sterimol/L: 13.4135 
 
 Surface and Volume Properties
  Accessible surface: 445.831  Positive charged surface: 369.453  Negative charged surface: 76.3784  Volume: 222.875
  Hydrophobic surface: 363.761  Hydrophilic surface: 82.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02324945
NCID-ZINC01693461