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COMGENEX-ZINC06872891

 MMsINC code: MMs01219710
Type: Neutral
Formula: C20H23ClN2O3
SMILES:   Clc1oc(cc1)C1=NOC(C1)CN(Cc1ccccc1)C(=O)CC(C)C
InChI:   InChI=1/C20H23ClN2O3/c1-14(2)10-20(24)23(12-15-6-4-3-5-7-15)13-16-11-17(22-26-16)18-8-9-19(21)25-18/h3-9,14,16H,10-13H2,1-2H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=70.3141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.868 g/mol  logS: -5.81927  SlogP: 4.7673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749528  Sterimol/B1: 2.75343  Sterimol/B2: 2.78291  Sterimol/B3: 4.90333
  Sterimol/B4: 9.56166  Sterimol/L: 17.7449 
 
 Surface and Volume Properties
  Accessible surface: 649.962  Positive charged surface: 370.974  Negative charged surface: 278.988  Volume: 357.75
  Hydrophobic surface: 542.719  Hydrophilic surface: 107.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.