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ASINEX-ZINC00110748

 MMsINC code: MMs00076594
Type: Neutral
Formula: C14H19ClN2O3
SMILES:   ClC=1CC2C(CC=1)C(=O)N(CC(=O)N(CC)CC)C2=O
InChI:   InChI=1/C14H19ClN2O3/c1-3-16(4-2)12(18)8-17-13(19)10-6-5-9(15)7-11(10)14(17)20/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=17.5562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.77 g/mol  logS: -1.67656  SlogP: 1.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807293  Sterimol/B1: 2.09469  Sterimol/B2: 3.06299  Sterimol/B3: 3.97395
  Sterimol/B4: 6.57362  Sterimol/L: 14.8654 
 
 Surface and Volume Properties
  Accessible surface: 514.715  Positive charged surface: 304.775  Negative charged surface: 209.94  Volume: 276.125
  Hydrophobic surface: 365.172  Hydrophilic surface: 149.543
 
 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: no related molecules available.