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BACHEM-ZINC02560742

 MMsINC code: MMs00483865
Type: Neutral
Formula: C11H13ClN2O3
SMILES:   Clc1ccccc1NC(=O)CCC(N)C(O)=O
InChI:   InChI=1/C11H13ClN2O3/c12-7-3-1-2-4-9(7)14-10(15)6-5-8(13)11(16)17/h1-4,8H,5-6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=55.2941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.689 g/mol  logS: -2.09215  SlogP: 1.4706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291964  Sterimol/B1: 2.55675  Sterimol/B2: 2.82619  Sterimol/B3: 3.03593
  Sterimol/B4: 6.51736  Sterimol/L: 14.5816 
 
 Surface and Volume Properties
  Accessible surface: 467.9  Positive charged surface: 260.586  Negative charged surface: 207.314  Volume: 224.125
  Hydrophobic surface: 290.938  Hydrophilic surface: 176.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.