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CHEMBRIDGE-ZINC00991759

 MMsINC code: MMs00650382
Type: Neutral
Formula: C29H22FNO5
SMILES:   Fc1ccc(cc1)C(=O)COC(=O)C(N1C(=O)C2C(C3c4c(C2c2c3cccc2)cccc4)
C1=O)C
InChI:   InChI=1/C29H22FNO5/c1-15(29(35)36-14-22(32)16-10-12-17(30)13-11-16)31-27(33)25-23-18-6-2-3-7-19(18)24(26(25)28(31)34)21-9-5-4-8-20(21)23/h2-13,15,23-26H,14H2,1H3/t15-,23-,24+,25-,26+/m1/s1

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Potential Energy
Epot(MMFF94)=112.287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.495 g/mol  logS: -6.4885  SlogP: 3.8323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564386  Sterimol/B1: 3.82036  Sterimol/B2: 3.98321  Sterimol/B3: 4.8624
  Sterimol/B4: 6.79252  Sterimol/L: 21.1865 
 
 Surface and Volume Properties
  Accessible surface: 724.134  Positive charged surface: 393.173  Negative charged surface: 330.961  Volume: 433.875
  Hydrophobic surface: 597.68  Hydrophilic surface: 126.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.