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CHEMSTAR-ZINC04017277

 MMsINC code: MMs01088009
Type: Neutral
Formula: C30H27NO4
SMILES:   O=C1N(C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3)c1ccc(cc1)C(OCCC(C)C)
=O
InChI:   InChI=1/C30H27NO4/c1-17(2)15-16-35-30(34)18-11-13-19(14-12-18)31-28(32)26-24-20-7-3-4-8-21(20)25(27(26)29(31)33)23-10-6-5-9-22(23)24/h3-14,17,24-27H,15-16H2,1-2H3/t24-,25+,26-,27+

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Potential Energy
Epot(MMFF94)=129.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.549 g/mol  logS: -7.1239  SlogP: 5.2861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476327  Sterimol/B1: 3.34514  Sterimol/B2: 5.20996  Sterimol/B3: 5.34224
  Sterimol/B4: 5.42146  Sterimol/L: 22.2271 
 
 Surface and Volume Properties
  Accessible surface: 751.001  Positive charged surface: 459.08  Negative charged surface: 291.92  Volume: 447.125
  Hydrophobic surface: 612.921  Hydrophilic surface: 138.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.