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CHEMSTAR-ZINC03118260

 MMsINC code: MMs01083526
Type: Neutral
Formula: C18H18Cl2N2O2
SMILES:   Clc1cc(Cl)cc(\C=N\NC(=O)c2ccc(cc2)C(C)(C)C)c1O
InChI:   InChI=1/C18H18Cl2N2O2/c1-18(2,3)13-6-4-11(5-7-13)17(24)22-21-10-12-8-14(19)9-15(20)16(12)23/h4-10,23H,1-3H3,(H,22,24)/b21-10+

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Potential Energy
Epot(MMFF94)=111.484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.26 g/mol  logS: -6.66436  SlogP: 4.7604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0196364  Sterimol/B1: 2.36504  Sterimol/B2: 4.43298  Sterimol/B3: 4.88271
  Sterimol/B4: 4.94999  Sterimol/L: 18.8846 
 
 Surface and Volume Properties
  Accessible surface: 613.431  Positive charged surface: 303.849  Negative charged surface: 309.581  Volume: 332.25
  Hydrophobic surface: 464.384  Hydrophilic surface: 149.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.