Molecular Properties | |
SMILES: | COC(=O)CC(C)n1ccn(C(C)CC(=O)OC)c1=[Au+]Cl |
MW: | 500.08 |
Fraction sp3: | 0.62 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 62.46 |
cLogP: | 2.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
Ester
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-43
0.628
MAR-TRE-d3c2bf0e-71
0.468
MAR-TRE-d3c2bf0e-50
0.440
MAR-TRE-d3c2bf0e-65
0.438
MAR-TRE-d3c2bf0e-56
0.415
MAR-TRE-d3c2bf0e-80
0.412
MAR-TRE-d3c2bf0e-25
0.404
MAR-TRE-d3c2bf0e-28
0.385
MAR-TRE-d3c2bf0e-22
0.380
MAR-TRE-d3c2bf0e-40
0.380
MAR-TRE-d3c2bf0e-74
0.377
MAR-TRE-d3c2bf0e-26
0.373
MAR-TRE-d3c2bf0e-44
0.360
MAR-TRE-d3c2bf0e-46
0.358
MAR-TRE-d3c2bf0e-14
0.353
MAR-TRE-d3c2bf0e-45
0.327
MAR-TRE-4f39ef4a-83
0.319
MAR-TRE-4f39ef4a-61
0.317
MAR-TRE-d3c2bf0e-58
0.314
MAR-TRE-d3c2bf0e-52
0.309
MAR-TRE-4f39ef4a-59
0.306
MAR-TRE-4f39ef4a-52
0.304
MAR-TRE-d3c2bf0e-73
0.304
MAR-TRE-d3c2bf0e-61
0.296
MAR-TRE-4f39ef4a-90
0.294
MAR-TRE-d3c2bf0e-12
0.292
MAR-TRE-d3c2bf0e-15
0.291
MAR-TRE-d3c2bf0e-11
0.290
MAR-TRE-d3c2bf0e-67
0.288
MAR-TRE-d3c2bf0e-6
0.286
MAR-TRE-d3c2bf0e-18
0.286
MAR-TRE-4f39ef4a-78
0.286
MAR-TRE-4f39ef4a-89
0.286
MAR-TRE-4f39ef4a-54
0.284
MAR-TRE-d3c2bf0e-5
0.283
MAR-TRE-d3c2bf0e-81
0.283
MAR-TRE-d3c2bf0e-37
0.280
MAR-TRE-4f39ef4a-67
0.279
MAR-TRE-4f39ef4a-68
0.279
MAR-TRE-d3c2bf0e-29
0.279
MAR-TRE-d3c2bf0e-39
0.279
MAR-TRE-4f39ef4a-86
0.277
MAR-TRE-d3c2bf0e-78
0.277
MAR-TRE-d3c2bf0e-33
0.276
MAR-TRE-4f39ef4a-21
0.275
MAR-TRE-4f39ef4a-62
0.273
MAR-TRE-d3c2bf0e-77
0.273
MAR-TRE-4f39ef4a-69
0.273
MAR-TRE-4f39ef4a-32
0.269
MAR-TRE-4f39ef4a-35
0.269
MAR-TRE-4f39ef4a-40
0.269
MAR-TRE-4f39ef4a-76
0.269
MAR-TRE-c317dd82-94
0.268
MAR-TRE-4f39ef4a-82
0.268
MAR-TRE-87acfbcc-86
0.267
MAR-TRE-4f39ef4a-66
0.266
MAR-TRE-4f39ef4a-44
0.265
MAR-TRE-4f39ef4a-48
0.265
MAR-TRE-d3c2bf0e-9
0.264
MAR-TRE-d3c2bf0e-30
0.263
MAR-TRE-4f39ef4a-9
0.263
MAR-TRE-d3c2bf0e-59
0.259
MAR-TRE-4f39ef4a-11
0.257
MAR-TRE-d3c2bf0e-63
0.255
MAR-TRE-d3c2bf0e-35
0.255
MAR-TRE-d3c2bf0e-8
0.254
MAR-TRE-4f39ef4a-10
0.254
MAR-TRE-d3c2bf0e-53
0.250
MAR-TRE-66ac689e-80
0.250
MAR-TRE-d3c2bf0e-38
0.250
MAR-TRE-4f39ef4a-13
0.250
MAR-TRE-d3c2bf0e-48
0.250
MAR-TRE-87acfbcc-67
0.250
MAR-TRE-4f39ef4a-63
0.250
MAR-TRE-4f39ef4a-30
0.250
MAR-TRE-4f39ef4a-29
0.247
MAR-TRE-4f39ef4a-55
0.247
MAR-TRE-4f39ef4a-24
0.247
MAR-TRE-4f39ef4a-14
0.246
MAR-TRE-4f39ef4a-56
0.246
MAR-TRE-423310b6-56
0.246
MAR-TRE-4f39ef4a-80
0.246
MAR-TRE-87acfbcc-68
0.246
MAR-TRE-d3c2bf0e-42
0.246
MAR-TRE-d3c2bf0e-76
0.245
MAR-TRE-4f39ef4a-84
0.244
MAR-TRE-4f39ef4a-6
0.243
MAR-TRE-d3c2bf0e-51
0.242
MAR-TRE-d3c2bf0e-66
0.242
MAR-TRE-aca67d11-50
0.242
MAR-TRE-4f39ef4a-39
0.240
MAR-TRE-4f39ef4a-27
0.239
MAR-TRE-4f39ef4a-74
0.239
MAR-TRE-4f39ef4a-88
0.239
MAR-TRE-4f39ef4a-34
0.238
MAR-TRE-4f39ef4a-53
0.238
MAR-TRE-d3c2bf0e-3
0.238
MAR-TRE-4f39ef4a-60
0.238
MAR-TRE-4f39ef4a-15
0.237
MAR-TRE-d3c2bf0e-4
0.237