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ASINEX-ZINC04309606

 MMsINC code: MMs00323969
Type: Neutral
Formula: C23H18Cl2N2O
SMILES:   Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OC2c1ccc(cc1)C
InChI:   InChI=1/C23H18Cl2N2O/c1-14-2-4-16(5-3-14)23-27-21(19-12-18(25)10-11-22(19)28-23)13-20(26-27)15-6-8-17(24)9-7-15/h2-12,21,23H,13H2,1H3/t21-,23-/m0/s1

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Potential Energy
Epot(MMFF94)=124.225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.316 g/mol  logS: -7.14644  SlogP: 6.73512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792773  Sterimol/B1: 2.71489  Sterimol/B2: 4.30316  Sterimol/B3: 7.50713
  Sterimol/B4: 8.40541  Sterimol/L: 15.315 
 
 Surface and Volume Properties
  Accessible surface: 659.914  Positive charged surface: 309.336  Negative charged surface: 350.578  Volume: 370.875
  Hydrophobic surface: 639.146  Hydrophilic surface: 20.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.