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NCID-ZINC01613263

 MMsINC code: MMs02263435
Type: Neutral
Formula: C14H25NO2
SMILES:   O(C(=O)C1N(CCC1)CC(CCCCC)=C)C
InChI:   InChI=1/C14H25NO2/c1-4-5-6-8-12(2)11-15-10-7-9-13(15)14(16)17-3/h13H,2,4-11H2,1,3H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=41.1553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.359 g/mol  logS: -3.02304  SlogP: 2.7603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641317  Sterimol/B1: 2.71151  Sterimol/B2: 3.6457  Sterimol/B3: 5.21282
  Sterimol/B4: 6.27377  Sterimol/L: 14.6069 
 
 Surface and Volume Properties
  Accessible surface: 526.215  Positive charged surface: 421.337  Negative charged surface: 104.878  Volume: 268
  Hydrophobic surface: 446.859  Hydrophilic surface: 79.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02263436
NCID-ZINC01613263