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CHEMDIV-ZINC00105291

 MMsINC code: MMs00832965
Type: Neutral
Formula: C14H19ClN2O2
SMILES:   ClC=1CC2C(CC=1)C(=O)N(CCN1CCCC1)C2=O
InChI:   InChI=1/C14H19ClN2O2/c15-10-3-4-11-12(9-10)14(19)17(13(11)18)8-7-16-5-1-2-6-16/h3,11-12H,1-2,4-9H2/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=15.8363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.771 g/mol  logS: -1.40583  SlogP: 1.7088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629284  Sterimol/B1: 2.79607  Sterimol/B2: 3.33478  Sterimol/B3: 3.78227
  Sterimol/B4: 4.77527  Sterimol/L: 16.102 
 
 Surface and Volume Properties
  Accessible surface: 503.284  Positive charged surface: 331.94  Negative charged surface: 171.343  Volume: 263.25
  Hydrophobic surface: 417.367  Hydrophilic surface: 85.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00832966
CHEMDIV-ZINC00105291