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PUBCHEM-ZINC04199360

 MMsINC code: MMs03098435
Type: Neutral
Formula: C28H20FNO5
SMILES:   Fc1cc(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3ccc(cc3)CC)C2=O
)ccc1
InChI:   InChI=1/C28H20FNO5/c1-2-15-10-12-16(13-11-15)23-21-22(27(34)30(26(21)33)18-7-5-6-17(29)14-18)28(35-23)24(31)19-8-3-4-9-20(19)25(28)32/h3-14,21-23H,2H2,1H3/t21-,22-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=105.471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.468 g/mol  logS: -7.42659  SlogP: 4.17867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0962242  Sterimol/B1: 3.4283  Sterimol/B2: 4.48268  Sterimol/B3: 6.73236
  Sterimol/B4: 7.41248  Sterimol/L: 17.033 
 
 Surface and Volume Properties
  Accessible surface: 706.075  Positive charged surface: 369.196  Negative charged surface: 336.879  Volume: 419.375
  Hydrophobic surface: 578.7  Hydrophilic surface: 127.375
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.