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CHEMBLOCK-ZINC01064314

 MMsINC code: MMs00512342
Type: Neutral
Formula: C24H20ClNO
SMILES:   Clc1cc(NC(=O)C2C3c4c(C(c5c3cccc5)C2C)cccc4)ccc1
InChI:   InChI=1/C24H20ClNO/c1-14-21-17-9-2-4-11-19(17)23(20-12-5-3-10-18(20)21)22(14)24(27)26-16-8-6-7-15(25)13-16/h2-14,21-23H,1H3,(H,26,27)/t14-,21-,22-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.883 g/mol  logS: -6.76084  SlogP: 5.8218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186532  Sterimol/B1: 2.50881  Sterimol/B2: 3.38054  Sterimol/B3: 6.45045
  Sterimol/B4: 6.58831  Sterimol/L: 16.7081 
 
 Surface and Volume Properties
  Accessible surface: 604.925  Positive charged surface: 328.048  Negative charged surface: 276.877  Volume: 355.25
  Hydrophobic surface: 569.422  Hydrophilic surface: 35.503
 
 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.