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PUBCHEM-ZINC05497392

 MMsINC code: MMs03286863
Type: Neutral
Formula: C15H26ClNO
SMILES:   ClCC(=O)NC(CCC=1C(CCCC=1C)(C)C)C
InChI:   InChI=1/C15H26ClNO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)17-14(18)10-16/h12H,5-10H2,1-4H3,(H,17,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=64.3839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.832 g/mol  logS: -4.38556  SlogP: 4.0367  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.144344  Sterimol/B1: 2.12832  Sterimol/B2: 3.25806  Sterimol/B3: 4.49965
  Sterimol/B4: 6.80691  Sterimol/L: 14.776 
 
 Surface and Volume Properties
  Accessible surface: 520.65  Positive charged surface: 333.631  Negative charged surface: 187.019  Volume: 286.125
  Hydrophobic surface: 362.11  Hydrophilic surface: 158.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.