Molecular Properties | |
SMILES: | COC(=O)C(C)n1ccn(C(C)C(=O)OC)c1=[Au+]Cl |
MW: | 472.05 |
Fraction sp3: | 0.55 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 62.46 |
cLogP: | 1.53 |
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-80
0.634
MAR-TRE-d3c2bf0e-25
0.605
MAR-TRE-d3c2bf0e-50
0.558
MAR-TRE-d3c2bf0e-60
0.468
MAR-TRE-d3c2bf0e-40
0.422
MAR-TRE-d3c2bf0e-74
0.417
MAR-TRE-d3c2bf0e-43
0.413
MAR-TRE-d3c2bf0e-28
0.396
MAR-TRE-d3c2bf0e-14
0.391
MAR-TRE-d3c2bf0e-22
0.391
MAR-TRE-d3c2bf0e-65
0.391
MAR-TRE-d3c2bf0e-26
0.383
MAR-TRE-4f39ef4a-59
0.382
MAR-TRE-d3c2bf0e-56
0.373
MAR-TRE-d3c2bf0e-44
0.370
MAR-TRE-d3c2bf0e-46
0.367
MAR-TRE-4f39ef4a-52
0.349
MAR-TRE-4f39ef4a-83
0.344
MAR-TRE-d3c2bf0e-78
0.341
MAR-TRE-4f39ef4a-90
0.339
MAR-TRE-d3c2bf0e-45
0.333
MAR-TRE-d3c2bf0e-61
0.327
MAR-TRE-4f39ef4a-68
0.323
MAR-TRE-4f39ef4a-67
0.323
MAR-TRE-4f39ef4a-61
0.322
MAR-TRE-d3c2bf0e-58
0.319
MAR-TRE-d3c2bf0e-67
0.319
MAR-TRE-d3c2bf0e-18
0.318
MAR-TRE-d3c2bf0e-52
0.314
MAR-TRE-d3c2bf0e-5
0.309
MAR-TRE-4f39ef4a-82
0.308
MAR-TRE-d3c2bf0e-35
0.306
MAR-TRE-d3c2bf0e-39
0.304
MAR-TRE-4f39ef4a-86
0.300
MAR-TRE-4f39ef4a-9
0.297
MAR-TRE-d3c2bf0e-12
0.295
MAR-TRE-d3c2bf0e-15
0.294
MAR-TRE-d3c2bf0e-11
0.293
MAR-TRE-4f39ef4a-35
0.290
MAR-TRE-d3c2bf0e-6
0.288
MAR-TRE-4f39ef4a-89
0.288
MAR-TRE-4f39ef4a-66
0.288
MAR-TRE-4f39ef4a-78
0.288
MAR-TRE-4f39ef4a-44
0.286
MAR-TRE-d3c2bf0e-73
0.283
MAR-TRE-d3c2bf0e-37
0.283
MAR-TRE-d3c2bf0e-29
0.281
MAR-TRE-d3c2bf0e-33
0.278
MAR-TRE-d3c2bf0e-77
0.275
MAR-TRE-4f39ef4a-62
0.274
MAR-TRE-4f39ef4a-40
0.270
MAR-TRE-4f39ef4a-32
0.270
MAR-TRE-4f39ef4a-48
0.266
MAR-TRE-4f39ef4a-54
0.266
MAR-TRE-d3c2bf0e-9
0.265
MAR-TRE-4f39ef4a-24
0.265
MAR-TRE-d3c2bf0e-30
0.264
MAR-TRE-d3c2bf0e-81
0.260
MAR-TRE-d3c2bf0e-59
0.259
MAR-TRE-4f39ef4a-88
0.258
MAR-TRE-4f39ef4a-21
0.258
MAR-TRE-4f39ef4a-11
0.258
MAR-TRE-d3c2bf0e-63
0.255
MAR-TRE-d3c2bf0e-8
0.255
MAR-TRE-4f39ef4a-69
0.254
MAR-TRE-4f39ef4a-10
0.254
MAR-TRE-4f39ef4a-30
0.250
MAR-TRE-4f39ef4a-63
0.250
MAR-TRE-d3c2bf0e-38
0.250
MAR-TRE-87acfbcc-12
0.250
MAR-TRE-d3c2bf0e-48
0.250
MAR-TRE-4f39ef4a-13
0.250
MAR-TRE-4f39ef4a-29
0.246
MAR-TRE-4f39ef4a-55
0.246
MAR-TRE-4f39ef4a-14
0.246
MAR-TRE-4f39ef4a-80
0.246
MAR-TRE-d3c2bf0e-76
0.245
MAR-TRE-4f39ef4a-28
0.243
MAR-TRE-4f39ef4a-6
0.242
MAR-TRE-e86a56b5-79
0.241
MAR-TRE-d3c2bf0e-82
0.240
MAR-TRE-4f39ef4a-74
0.239
MAR-TRE-4f39ef4a-34
0.237
MAR-TRE-4f39ef4a-53
0.237
MAR-TRE-d3c2bf0e-4
0.236
MAR-TRE-d3c2bf0e-20
0.236
MAR-TRE-d3c2bf0e-70
0.236
MAR-TRE-d3c2bf0e-31
0.232
MAR-TRE-4f39ef4a-76
0.231
MAR-TRE-d3c2bf0e-53
0.230
MAR-TRE-423310b6-22
0.230
MAR-TRE-4f39ef4a-75
0.230
MAR-TRE-4f39ef4a-87
0.230
MAR-TRE-4f39ef4a-45
0.229
MAR-TRE-4f39ef4a-56
0.227
MAR-TRE-4f39ef4a-84
0.227
MAR-TRE-c317dd82-48
0.226
MAR-TRE-4f39ef4a-65
0.224
MAR-TRE-d3c2bf0e-79
0.224
MAR-TRE-d3c2bf0e-42
0.224