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CHEMBRIDGE-ZINC02498467

 MMsINC code: MMs00711766
Type: Neutral
Formula: C16H30N2O2
SMILES:   O(CC)C(=O)N1CCC(NC2CCCCCCC2)CC1
InChI:   InChI=1/C16H30N2O2/c1-2-20-16(19)18-12-10-15(11-13-18)17-14-8-6-4-3-5-7-9-14/h14-15,17H,2-13H2,1H3

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Potential Energy
Epot(MMFF94)=59.5459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.428 g/mol  logS: -2.88205  SlogP: 3.3098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737275  Sterimol/B1: 3.39267  Sterimol/B2: 3.86168  Sterimol/B3: 4.12241
  Sterimol/B4: 4.42329  Sterimol/L: 16.9517 
 
 Surface and Volume Properties
  Accessible surface: 554.523  Positive charged surface: 441.507  Negative charged surface: 113.016  Volume: 302.125
  Hydrophobic surface: 482.245  Hydrophilic surface: 72.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules


MMs00711767
CHEMBRIDGE-ZINC02498467