Molecular Properties | |
SMILES: | CC(=O)NC(CCCCn1ccn(C)c1=[Au+]Cl)C(=O)O |
MW: | 485.08 |
Fraction sp3: | 0.58 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 76.26 |
cLogP: | 1.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
contains_metal
halogen_heteroatom
Aliphatic long chain
Halogen-bonded heteroatoms
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
unacceptable atoms
Long aliphatic chain
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-82
0.733
MAR-TRE-4f39ef4a-45
0.721
MAR-TRE-4f39ef4a-88
0.617
MAR-TRE-4f39ef4a-6
0.507
MAR-TRE-4f39ef4a-69
0.463
MAR-TRE-4f39ef4a-15
0.449
MAR-TRE-4f39ef4a-25
0.442
MAR-TRE-4f39ef4a-23
0.400
MAR-TRE-4f39ef4a-90
0.378
MAR-TRE-4f39ef4a-12
0.366
MAR-TRE-d3c2bf0e-52
0.365
MAR-TRE-4f39ef4a-78
0.357
MAR-TRE-4f39ef4a-61
0.347
MAR-TRE-4f39ef4a-67
0.347
MAR-TRE-4f39ef4a-68
0.347
MAR-TRE-4f39ef4a-87
0.343
MAR-TRE-4f39ef4a-89
0.338
MAR-TRE-4f39ef4a-28
0.337
MAR-TRE-d3c2bf0e-76
0.333
MAR-TRE-4f39ef4a-86
0.329
MAR-TRE-d3c2bf0e-82
0.328
MAR-TRE-4f39ef4a-62
0.324
MAR-TRE-4f39ef4a-40
0.320
MAR-TRE-4f39ef4a-32
0.320
MAR-TRE-4f39ef4a-59
0.319
MAR-TRE-4f39ef4a-66
0.319
MAR-TRE-4f39ef4a-16
0.317
MAR-TRE-4f39ef4a-44
0.316
MAR-TRE-4f39ef4a-29
0.312
MAR-TRE-d3c2bf0e-26
0.312
MAR-TRE-4f39ef4a-21
0.308
MAR-TRE-4f39ef4a-35
0.303
MAR-TRE-4f39ef4a-52
0.300
MAR-TRE-4f39ef4a-13
0.300
MAR-TRE-4f39ef4a-48
0.299
MAR-TRE-4f39ef4a-54
0.299
MAR-TRE-fffca54f-96
0.299
MAR-TRE-e86a56b5-63
0.299
MAR-TRE-4f39ef4a-70
0.297
MAR-TRE-d3c2bf0e-22
0.297
MAR-TRE-4f39ef4a-20
0.295
MAR-TRE-4f39ef4a-11
0.291
MAR-TRE-4f39ef4a-58
0.291
MAR-TRE-e86a56b5-49
0.290
MAR-TRE-d3c2bf0e-36
0.288
MAR-TRE-4f39ef4a-10
0.287
MAR-TRE-e86a56b5-64
0.286
MAR-TRE-4f39ef4a-30
0.284
MAR-TRE-4f39ef4a-80
0.284
MAR-TRE-d3c2bf0e-28
0.284
MAR-TRE-d3c2bf0e-46
0.284
MAR-TRE-e82e6c98-72
0.282
MAR-TRE-d3c2bf0e-44
0.281
MAR-TRE-4f39ef4a-24
0.280
MAR-TRE-d3c2bf0e-37
0.279
MAR-TRE-d3c2bf0e-17
0.278
MAR-TRE-d3c2bf0e-65
0.277
MAR-TRE-d3c2bf0e-40
0.277
MAR-TRE-4f39ef4a-39
0.274
MAR-TRE-d3c2bf0e-12
0.273
MAR-TRE-d3c2bf0e-43
0.273
MAR-TRE-4f39ef4a-33
0.272
MAR-TRE-4f39ef4a-75
0.270
MAR-TRE-d3c2bf0e-25
0.270
MAR-TRE-e86a56b5-54
0.269
MAR-TRE-d3c2bf0e-15
0.269
MAR-TRE-4f39ef4a-63
0.268
MAR-TRE-e86a56b5-90
0.268
MAR-TRE-d3c2bf0e-58
0.266
MAR-TRE-4f39ef4a-83
0.265
MAR-TRE-d3c2bf0e-45
0.261
MAR-TRE-d3c2bf0e-59
0.261
MAR-TRE-4f39ef4a-53
0.260
MAR-TRE-d3c2bf0e-3
0.260
MAR-TRE-4f39ef4a-27
0.259
MAR-TRE-4f39ef4a-5
0.258
MAR-TRE-4f39ef4a-34
0.255
MAR-TRE-d3c2bf0e-78
0.254
MAR-TRE-d3c2bf0e-11
0.253
MAR-TRE-4f39ef4a-51
0.253
MAR-TRE-4f39ef4a-50
0.253
MAR-TRE-d3c2bf0e-34
0.250
MAR-TRE-4f39ef4a-31
0.250
MAR-TRE-4f39ef4a-55
0.250
MAR-TRE-4f39ef4a-56
0.250
MAR-TRE-4f39ef4a-57
0.250
MAR-TRE-4f39ef4a-26
0.247
MAR-TRE-4f39ef4a-71
0.247
MAR-TRE-d3c2bf0e-64
0.247
MAR-TRE-d3c2bf0e-80
0.246
MAR-TRE-4f39ef4a-18
0.244
MAR-TRE-4f39ef4a-41
0.244
MAR-TRE-d3c2bf0e-47
0.243
MAR-TRE-d3c2bf0e-74
0.243
MAR-TRE-d3c2bf0e-73
0.243
MAR-TRE-d3c2bf0e-18
0.242
MAR-TRE-4f39ef4a-72
0.241
MAR-TRE-aca67d11-97
0.241
MAR-TRE-d3c2bf0e-21
0.239
MAR-TRE-d3c2bf0e-60
0.239