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CHEMSTAR-ZINC04016249

 MMsINC code: MMs01087368
Type: Neutral
Formula: C26H17NO5
SMILES:   O1C2(C3C(C1c1ccccc1)C(=O)N(C3=O)c1ccccc1)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C26H17NO5/c28-22-17-13-7-8-14-18(17)23(29)26(22)20-19(21(32-26)15-9-3-1-4-10-15)24(30)27(25(20)31)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20-,21+/m0/s1

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Potential Energy
Epot(MMFF94)=106.88 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.424 g/mol  logS: -6.14247  SlogP: 3.4772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152894  Sterimol/B1: 3.35224  Sterimol/B2: 4.35136  Sterimol/B3: 6.45927
  Sterimol/B4: 7.6782  Sterimol/L: 14.4679 
 
 Surface and Volume Properties
  Accessible surface: 643.232  Positive charged surface: 328.698  Negative charged surface: 314.535  Volume: 379.625
  Hydrophobic surface: 537.057  Hydrophilic surface: 106.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.