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PUBCHEM-ZINC04178593

 MMsINC code: MMs03096527
Type: Neutral
Formula: C24H17NO3
SMILES:   O=C1c2c(cccc2NC(=O)C2CC2c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C24H17NO3/c26-22-15-9-4-5-10-16(15)23(27)21-17(22)11-6-12-20(21)25-24(28)19-13-18(19)14-7-2-1-3-8-14/h1-12,18-19H,13H2,(H,25,28)/t18-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.404 g/mol  logS: -5.89811  SlogP: 4.2042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241493  Sterimol/B1: 2.097  Sterimol/B2: 4.54845  Sterimol/B3: 4.85992
  Sterimol/B4: 7.14246  Sterimol/L: 18.7285 
 
 Surface and Volume Properties
  Accessible surface: 626.249  Positive charged surface: 334.165  Negative charged surface: 292.084  Volume: 348.375
  Hydrophobic surface: 513.935  Hydrophilic surface: 112.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.