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MAYBRIDGE-ZINC00138118

 MMsINC code: MMs02138796
Type: Neutral
Formula: C18H14Cl2N2O
SMILES:   Clc1cc(Cl)cc(C2Nc3cc(ccc3-n3c2ccc3)C)c1O
InChI:   InChI=1/C18H14Cl2N2O/c1-10-4-5-15-14(7-10)21-17(16-3-2-6-22(15)16)12-8-11(19)9-13(20)18(12)23/h2-9,17,21,23H,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=76.3169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.229 g/mol  logS: -4.9662  SlogP: 5.40852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157139  Sterimol/B1: 3.60174  Sterimol/B2: 4.27051  Sterimol/B3: 4.30012
  Sterimol/B4: 7.40909  Sterimol/L: 14.5172 
 
 Surface and Volume Properties
  Accessible surface: 540.998  Positive charged surface: 244.921  Negative charged surface: 296.077  Volume: 302.75
  Hydrophobic surface: 464.301  Hydrophilic surface: 76.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.