Molecular Properties | |
SMILES: | Cn1ccn(C(Cc2cc(I)c(O)c(I)c2)C(=O)O)c1=[Au+]Cl |
MW: | 729.83 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 67.39 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
iodine
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
aryl iodide
unacceptable atoms
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-30
0.712
MAR-TRE-4f39ef4a-40
0.655
MAR-TRE-4f39ef4a-21
0.597
MAR-TRE-4f39ef4a-44
0.590
MAR-TRE-4f39ef4a-10
0.587
MAR-TRE-4f39ef4a-13
0.578
MAR-TRE-4f39ef4a-24
0.569
MAR-TRE-4f39ef4a-11
0.547
MAR-TRE-4f39ef4a-48
0.540
MAR-TRE-4f39ef4a-54
0.540
MAR-TRE-4f39ef4a-61
0.516
MAR-TRE-4f39ef4a-78
0.508
MAR-TRE-4f39ef4a-89
0.508
MAR-TRE-4f39ef4a-62
0.508
MAR-TRE-4f39ef4a-86
0.492
MAR-TRE-4f39ef4a-52
0.485
MAR-TRE-4f39ef4a-35
0.477
MAR-TRE-4f39ef4a-31
0.474
MAR-TRE-4f39ef4a-67
0.463
MAR-TRE-4f39ef4a-68
0.463
MAR-TRE-4f39ef4a-29
0.457
MAR-TRE-4f39ef4a-5
0.453
MAR-TRE-4f39ef4a-50
0.442
MAR-TRE-4f39ef4a-51
0.442
MAR-TRE-4f39ef4a-57
0.436
MAR-TRE-4f39ef4a-26
0.430
MAR-TRE-d3c2bf0e-22
0.429
MAR-TRE-e86a56b5-86
0.421
MAR-TRE-4f39ef4a-34
0.420
MAR-TRE-e86a56b5-49
0.410
MAR-TRE-d3c2bf0e-28
0.407
MAR-TRE-4f39ef4a-83
0.397
MAR-TRE-d3c2bf0e-12
0.397
MAR-TRE-d3c2bf0e-26
0.397
MAR-TRE-4f39ef4a-66
0.394
MAR-TRE-d3c2bf0e-44
0.386
MAR-TRE-4f39ef4a-63
0.384
MAR-TRE-d3c2bf0e-46
0.383
MAR-TRE-e86a56b5-79
0.383
MAR-TRE-4f39ef4a-59
0.373
MAR-TRE-4f39ef4a-90
0.356
MAR-TRE-d3c2bf0e-45
0.355
MAR-TRE-4f39ef4a-9
0.349
MAR-TRE-87acfbcc-59
0.347
MAR-TRE-4f39ef4a-88
0.343
MAR-TRE-d3c2bf0e-11
0.338
MAR-TRE-4f39ef4a-25
0.333
MAR-TRE-e86a56b5-9
0.333
MAR-TRE-4f39ef4a-53
0.328
MAR-TRE-d3c2bf0e-25
0.328
MAR-TRE-4f39ef4a-15
0.325
MAR-TRE-4f39ef4a-6
0.324
MAR-TRE-4f39ef4a-74
0.320
MAR-TRE-4f781e27-24
0.320
MAR-TRE-4f39ef4a-69
0.319
MAR-TRE-4f39ef4a-23
0.319
MAR-TRE-4f39ef4a-76
0.315
MAR-TRE-d3c2bf0e-74
0.312
MAR-TRE-d3c2bf0e-40
0.311
MAR-TRE-d3c2bf0e-14
0.311
MAR-TRE-4f39ef4a-14
0.311
MAR-TRE-d3c2bf0e-43
0.306
MAR-TRE-4f39ef4a-41
0.303
MAR-TRE-4f39ef4a-75
0.300
MAR-TRE-d3c2bf0e-52
0.297
MAR-TRE-e86a56b5-88
0.288
MAR-TRE-4f39ef4a-12
0.288
MAR-TRE-4f39ef4a-22
0.287
MAR-TRE-4f39ef4a-28
0.286
MAR-TRE-4f39ef4a-27
0.286
MAR-TRE-4f39ef4a-18
0.284
MAR-TRE-4f39ef4a-82
0.278
MAR-TRE-4f39ef4a-80
0.278
MAR-TRE-d3c2bf0e-80
0.277
MAR-TRE-4f39ef4a-55
0.275
MAR-TRE-4f39ef4a-45
0.275
MAR-TRE-4f39ef4a-71
0.274
MAR-TRE-4f39ef4a-20
0.273
MAR-TRE-4f39ef4a-84
0.271
MAR-TRE-d3c2bf0e-71
0.270
MAR-TRE-4f39ef4a-58
0.269
MAR-TRE-d3c2bf0e-60
0.269
MAR-TRE-4f39ef4a-39
0.268
MAR-TRE-4f39ef4a-33
0.266
MAR-TRE-4f39ef4a-16
0.265
MAR-TRE-d3c2bf0e-15
0.262
MAR-TRE-4f39ef4a-65
0.261
MAR-TRE-d3c2bf0e-50
0.258
MAR-TRE-4f39ef4a-70
0.257
MAR-TRE-d3c2bf0e-18
0.254
MAR-TRE-d3c2bf0e-59
0.254
MAR-TRE-d3c2bf0e-3
0.254
MAR-TRE-d3c2bf0e-39
0.254
MAR-TRE-4f39ef4a-60
0.254
MAR-TRE-4f39ef4a-36
0.253
MAR-TRE-d3c2bf0e-37
0.250
MAR-TRE-d3c2bf0e-8
0.250
MAR-TRE-4f39ef4a-87
0.247
MAR-TRE-4f39ef4a-79
0.244
MAR-TRE-4f39ef4a-56
0.244