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CHEMDIV-ZINC04184485

 MMsINC code: MMs00931481
Type: Neutral
Formula: C19H35NO2
SMILES:   O(C(=O)CN1CCCCC1)C1CCCCCCCCCCC1
InChI:   InChI=1/C19H35NO2/c21-19(17-20-15-11-8-12-16-20)22-18-13-9-6-4-2-1-3-5-7-10-14-18/h18H,1-17H2

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Potential Energy
Epot(MMFF94)=105.033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.494 g/mol  logS: -5.21321  SlogP: 4.6888  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111171  Sterimol/B1: 2.952  Sterimol/B2: 4.26057  Sterimol/B3: 5.56323
  Sterimol/B4: 5.66907  Sterimol/L: 16.4922 
 
 Surface and Volume Properties
  Accessible surface: 591.518  Positive charged surface: 478.586  Negative charged surface: 112.932  Volume: 342.5
  Hydrophobic surface: 571.247  Hydrophilic surface: 20.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00931482
CHEMDIV-ZINC04184485