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PUBCHEM-ZINC02013957

 MMsINC code: MMs02850806
Type: Neutral
Formula: C12H24N2O2
SMILES:   OC(=O)C(NCCCN1CCCCC1C)C
InChI:   InChI=1/C12H24N2O2/c1-10-6-3-4-8-14(10)9-5-7-13-11(2)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=29.9728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -0.86155  SlogP: 1.3136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670631  Sterimol/B1: 2.09135  Sterimol/B2: 3.54413  Sterimol/B3: 3.83598
  Sterimol/B4: 6.75141  Sterimol/L: 15.4802 
 
 Surface and Volume Properties
  Accessible surface: 490.937  Positive charged surface: 376.823  Negative charged surface: 114.114  Volume: 245
  Hydrophobic surface: 343.219  Hydrophilic surface: 147.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02850807
PUBCHEM-ZINC02013957