Molecular Properties | |
SMILES: | Cn1ccn(C(CCS(C)(=N)=O)C(=O)O)c1=[Au+]Cl |
MW: | 477.02 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.08 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Halogen-bonded heteroatoms
Double acyclic N=N and N=S bonds
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Filter90_N_double_bond_S
unacceptable atoms
Long aliphatic chain
S=N_(not_ring)
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-86
0.722
MAR-TRE-4f39ef4a-29
0.712
MAR-TRE-4f39ef4a-89
0.625
MAR-TRE-4f39ef4a-78
0.596
MAR-TRE-4f39ef4a-68
0.565
MAR-TRE-4f39ef4a-40
0.557
MAR-TRE-4f39ef4a-67
0.540
MAR-TRE-4f39ef4a-32
0.508
MAR-TRE-4f39ef4a-21
0.508
MAR-TRE-4f39ef4a-10
0.500
MAR-TRE-4f39ef4a-44
0.500
MAR-TRE-4f39ef4a-35
0.484
MAR-TRE-4f39ef4a-54
0.477
MAR-TRE-4f39ef4a-48
0.477
MAR-TRE-4f39ef4a-61
0.476
MAR-TRE-4f39ef4a-13
0.471
MAR-TRE-4f39ef4a-30
0.471
MAR-TRE-4f39ef4a-24
0.464
MAR-TRE-4f39ef4a-11
0.463
MAR-TRE-d3c2bf0e-26
0.455
MAR-TRE-4f39ef4a-52
0.449
MAR-TRE-4f39ef4a-66
0.422
MAR-TRE-d3c2bf0e-22
0.411
MAR-TRE-4f39ef4a-31
0.405
MAR-TRE-4f39ef4a-5
0.403
MAR-TRE-d3c2bf0e-44
0.393
MAR-TRE-4f39ef4a-50
0.392
MAR-TRE-4f39ef4a-51
0.392
MAR-TRE-d3c2bf0e-28
0.390
MAR-TRE-d3c2bf0e-46
0.390
MAR-TRE-4f39ef4a-57
0.388
MAR-TRE-d3c2bf0e-11
0.385
MAR-TRE-4f39ef4a-83
0.384
MAR-TRE-4f39ef4a-26
0.383
MAR-TRE-d3c2bf0e-12
0.382
MAR-TRE-4f39ef4a-90
0.380
MAR-TRE-4f39ef4a-59
0.379
MAR-TRE-4f39ef4a-34
0.373
MAR-TRE-4f39ef4a-63
0.370
MAR-TRE-4f39ef4a-6
0.366
MAR-TRE-d3c2bf0e-45
0.361
MAR-TRE-4f39ef4a-88
0.348
MAR-TRE-4f39ef4a-25
0.338
MAR-TRE-4f39ef4a-9
0.337
MAR-TRE-d3c2bf0e-25
0.333
MAR-TRE-4f39ef4a-74
0.324
MAR-TRE-4f39ef4a-41
0.324
MAR-TRE-d3c2bf0e-74
0.317
MAR-TRE-d3c2bf0e-40
0.317
MAR-TRE-d3c2bf0e-14
0.317
MAR-TRE-d3c2bf0e-43
0.311
MAR-TRE-4f39ef4a-69
0.306
MAR-TRE-4f39ef4a-72
0.306
MAR-TRE-4f39ef4a-23
0.306
MAR-TRE-4f39ef4a-76
0.301
MAR-TRE-4f39ef4a-80
0.300
MAR-TRE-4f39ef4a-15
0.298
MAR-TRE-4f39ef4a-56
0.297
MAR-TRE-4f39ef4a-14
0.297
MAR-TRE-4f39ef4a-79
0.295
MAR-TRE-4f39ef4a-55
0.295
MAR-TRE-4f39ef4a-53
0.294
MAR-TRE-4f39ef4a-22
0.291
MAR-TRE-4f39ef4a-28
0.289
MAR-TRE-4f39ef4a-18
0.287
MAR-TRE-4f39ef4a-75
0.286
MAR-TRE-4f39ef4a-16
0.284
MAR-TRE-4f39ef4a-82
0.282
MAR-TRE-d3c2bf0e-80
0.281
MAR-TRE-d3c2bf0e-18
0.281
MAR-TRE-4f39ef4a-45
0.278
MAR-TRE-d3c2bf0e-71
0.274
MAR-TRE-4f39ef4a-12
0.274
MAR-TRE-d3c2bf0e-60
0.273
MAR-TRE-4f39ef4a-27
0.273
MAR-TRE-d3c2bf0e-77
0.270
MAR-TRE-d3c2bf0e-36
0.266
MAR-TRE-d3c2bf0e-50
0.262
MAR-TRE-d3c2bf0e-52
0.262
MAR-TRE-4f39ef4a-71
0.260
MAR-TRE-4f39ef4a-84
0.259
MAR-TRE-d3c2bf0e-59
0.258
MAR-TRE-d3c2bf0e-73
0.258
MAR-TRE-d3c2bf0e-39
0.257
MAR-TRE-4f39ef4a-58
0.256
MAR-TRE-d3c2bf0e-37
0.254
MAR-TRE-d3c2bf0e-63
0.254
MAR-TRE-d3c2bf0e-65
0.254
MAR-TRE-d3c2bf0e-8
0.254
MAR-TRE-4f39ef4a-33
0.253
MAR-TRE-4f39ef4a-87
0.250
MAR-TRE-d3c2bf0e-56
0.250
MAR-TRE-d3c2bf0e-61
0.250
MAR-TRE-4f39ef4a-43
0.247
MAR-TRE-4f39ef4a-20
0.244
MAR-TRE-4f39ef4a-70
0.243
MAR-TRE-d3c2bf0e-5
0.243
MAR-TRE-d3c2bf0e-58
0.242
MAR-TRE-4f39ef4a-2
0.241
MAR-TRE-4f39ef4a-39
0.241