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ASINEX-ZINC00894986

 MMsINC code: MMs00211049
Type: Neutral
Formula: C23H19ClN2O3
SMILES:   Clc1ccc(cc1)CN1c2c(cccc2)C(O)(CC(=O)c2ccc(N)cc2)C1=O
InChI:   InChI=1/C23H19ClN2O3/c24-17-9-5-15(6-10-17)14-26-20-4-2-1-3-19(20)23(29,22(26)28)13-21(27)16-7-11-18(25)12-8-16/h1-12,29H,13-14,25H2/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=108.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.869 g/mol  logS: -5.60508  SlogP: 4.5075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16464  Sterimol/B1: 2.33389  Sterimol/B2: 2.85397  Sterimol/B3: 5.56899
  Sterimol/B4: 10.9568  Sterimol/L: 15.0462 
 
 Surface and Volume Properties
  Accessible surface: 645.449  Positive charged surface: 339.609  Negative charged surface: 305.84  Volume: 372.375
  Hydrophobic surface: 507.633  Hydrophilic surface: 137.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.