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CHEMDIV-ZINC05125517

 MMsINC code: MMs00990139
Type: Neutral
Formula: C24H19NO3
SMILES:   O1c2c(cc(cc2)C(OC)=O)C=CC12N(c1c(-c3c2cccc3)cccc1)C
InChI:   InChI=1/C24H19NO3/c1-25-21-10-6-4-8-19(21)18-7-3-5-9-20(18)24(25)14-13-16-15-17(23(26)27-2)11-12-22(16)28-24/h3-15H,1-2H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=168.062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.42 g/mol  logS: -6.7717  SlogP: 5.1601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106217  Sterimol/B1: 2.00106  Sterimol/B2: 3.16339  Sterimol/B3: 6.28652
  Sterimol/B4: 7.16623  Sterimol/L: 17.8102 
 
 Surface and Volume Properties
  Accessible surface: 602.968  Positive charged surface: 384.588  Negative charged surface: 215.035  Volume: 354.25
  Hydrophobic surface: 548.475  Hydrophilic surface: 54.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.