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PUBCHEM-ZINC04020304

 MMsINC code: MMs03087609
Type: Neutral
Formula: C30H23NO7
SMILES:   O1C2(C3C(C1c1ccc(cc1)C)C(=O)N(C3=O)c1ccc(cc1)C(OCC)=O)C(=O)c
1c(cccc1)C2=O
InChI:   InChI=1/C30H23NO7/c1-3-37-29(36)18-12-14-19(15-13-18)31-27(34)22-23(28(31)35)30(38-24(22)17-10-8-16(2)9-11-17)25(32)20-6-4-5-7-21(20)26(30)33/h4-15,22-24H,3H2,1-2H3/t22-,23+,24-/m1/s1

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Potential Energy
Epot(MMFF94)=150.634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 509.514 g/mol  logS: -7.32533  SlogP: 3.96232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897401  Sterimol/B1: 2.89452  Sterimol/B2: 5.27808  Sterimol/B3: 7.33728
  Sterimol/B4: 9.04553  Sterimol/L: 17.5442 
 
 Surface and Volume Properties
  Accessible surface: 771.468  Positive charged surface: 427.307  Negative charged surface: 344.161  Volume: 458.25
  Hydrophobic surface: 598.164  Hydrophilic surface: 173.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.