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CHEMBLOCK-ZINC03669347

 MMsINC code: MMs00539972
Type: Neutral
Formula: C24H19Cl2NO
SMILES:   Clc1cc(Cl)ccc1NC(=O)C1C2c3c(C(c4c2cccc4)C1C)cccc3
InChI:   InChI=1/C24H19Cl2NO/c1-13-21-15-6-2-4-8-17(15)23(18-9-5-3-7-16(18)21)22(13)24(28)27-20-11-10-14(25)12-19(20)26/h2-13,21-23H,1H3,(H,27,28)/t13-,21-,22+,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.328 g/mol  logS: -7.49513  SlogP: 6.4752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181376  Sterimol/B1: 2.33172  Sterimol/B2: 3.79823  Sterimol/B3: 6.577
  Sterimol/B4: 7.81126  Sterimol/L: 17.432 
 
 Surface and Volume Properties
  Accessible surface: 625.247  Positive charged surface: 298.584  Negative charged surface: 326.663  Volume: 372.125
  Hydrophobic surface: 586.654  Hydrophilic surface: 38.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.