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CHEMSTAR-ZINC01480307

 MMsINC code: MMs01078689
Type: Neutral
Formula: C16H27NO
SMILES:   O=C(NCCC=1CCCCC=1)CCC1CCCC1
InChI:   InChI=1/C16H27NO/c18-16(11-10-14-8-4-5-9-14)17-13-12-15-6-2-1-3-7-15/h6,14H,1-5,7-13H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=22.2852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.398 g/mol  logS: -4.41365  SlogP: 3.9635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375573  Sterimol/B1: 3.26488  Sterimol/B2: 3.57068  Sterimol/B3: 3.58522
  Sterimol/B4: 3.78225  Sterimol/L: 18.3793 
 
 Surface and Volume Properties
  Accessible surface: 546.481  Positive charged surface: 437.2  Negative charged surface: 109.281  Volume: 280.75
  Hydrophobic surface: 486.025  Hydrophilic surface: 60.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.