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ASINEX-ZINC00110743

 MMsINC code: MMs00076592
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+/m0/s1

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Potential Energy
Epot(MMFF94)=14.8844 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: 0.082343  Sterimol/B1: 2.10624  Sterimol/B2: 3.16652  Sterimol/B3: 3.94059
  Sterimol/B4: 6.69261  Sterimol/L: 14.3095 
 
 Surface and Volume Properties
  Accessible surface: 518.484  Positive charged surface: 306.751  Negative charged surface: 211.733  Volume: 274.125
  Hydrophobic surface: 374.221  Hydrophilic surface: 144.263
 
 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.