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ENAMINE-ZINC03069136

 MMsINC code: MMs01289531
Type: Neutral
Formula: C18H29NO2
SMILES:   O=C(NO)CCCCCCCCC#CC#CCCCCC
InChI:   InChI=1/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h21H,2-5,10-17H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=29.1794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.435 g/mol  logS: -6.76582  SlogP: 4.19972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0077599  Sterimol/B1: 2.37503  Sterimol/B2: 2.37585  Sterimol/B3: 3.01174
  Sterimol/B4: 3.99248  Sterimol/L: 27.4417 
 
 Surface and Volume Properties
  Accessible surface: 697.563  Positive charged surface: 488.259  Negative charged surface: 153.03  Volume: 331.875
  Hydrophobic surface: 513.617  Hydrophilic surface: 183.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.