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MAYBRIDGE-ZINC00138120

 MMsINC code: MMs02138797
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.1664 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: 0.143166  Sterimol/B1: 3.74085  Sterimol/B2: 3.93526  Sterimol/B3: 4.64933
  Sterimol/B4: 7.1142  Sterimol/L: 14.2953 
 
 Surface and Volume Properties
  Accessible surface: 536.9  Positive charged surface: 234.518  Negative charged surface: 302.382  Volume: 303.375
  Hydrophobic surface: 466.592  Hydrophilic surface: 70.308
 
 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.