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CHEMBRIDGE-ZINC00243131

 MMsINC code: MMs00597872
Type: Neutral
Formula: C19H21ClN2O2
SMILES:   Clc1ccc(cc1OCC(O)Cn1c2cc(C)c(cc2nc1)C)C
InChI:   InChI=1/C19H21ClN2O2/c1-12-4-5-16(20)19(6-12)24-10-15(23)9-22-11-21-17-7-13(2)14(3)8-18(17)22/h4-8,11,15,23H,9-10H2,1-3H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=86.8129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.842 g/mol  logS: -5.49682  SlogP: 4.32126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06944  Sterimol/B1: 2.24418  Sterimol/B2: 4.33594  Sterimol/B3: 5.47341
  Sterimol/B4: 7.50928  Sterimol/L: 17.8613 
 
 Surface and Volume Properties
  Accessible surface: 614.581  Positive charged surface: 362.412  Negative charged surface: 252.169  Volume: 331.5
  Hydrophobic surface: 556.921  Hydrophilic surface: 57.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.