Molecular Properties | |
SMILES: | CCCC(NC(=O)C(C)n1ccn(C)c1=[Au+]Cl)C(=O)O |
MW: | 485.08 |
Fraction sp3: | 0.58 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 76.26 |
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
Long aliphatic chain
Undesirable_Elements_Salts
MAR-TRE-4f39ef4a-59
0.638
MAR-TRE-4f39ef4a-61
0.448
MAR-TRE-4f39ef4a-67
0.403
MAR-TRE-4f39ef4a-68
0.403
MAR-TRE-d3c2bf0e-26
0.400
MAR-TRE-4f39ef4a-78
0.397
MAR-TRE-4f39ef4a-89
0.397
MAR-TRE-d3c2bf0e-80
0.387
MAR-TRE-4f39ef4a-86
0.386
MAR-TRE-4f39ef4a-6
0.384
MAR-TRE-4f39ef4a-29
0.382
MAR-TRE-4f39ef4a-69
0.380
MAR-TRE-4f39ef4a-62
0.380
MAR-TRE-d3c2bf0e-25
0.379
MAR-TRE-4f39ef4a-74
0.378
MAR-TRE-4f39ef4a-44
0.370
MAR-TRE-4f39ef4a-48
0.370
MAR-TRE-4f39ef4a-21
0.360
MAR-TRE-4f39ef4a-11
0.360
MAR-TRE-4f39ef4a-66
0.357
MAR-TRE-4f39ef4a-32
0.356
MAR-TRE-4f39ef4a-40
0.356
MAR-TRE-4f39ef4a-35
0.356
MAR-TRE-4f39ef4a-28
0.354
MAR-TRE-4f39ef4a-54
0.351
MAR-TRE-4f39ef4a-15
0.345
MAR-TRE-d3c2bf0e-22
0.339
MAR-TRE-d3c2bf0e-40
0.339
MAR-TRE-d3c2bf0e-71
0.339
MAR-TRE-4f39ef4a-10
0.338
MAR-TRE-4f39ef4a-13
0.333
MAR-TRE-4f39ef4a-30
0.333
MAR-TRE-4f39ef4a-52
0.333
MAR-TRE-d3c2bf0e-43
0.333
MAR-TRE-4f39ef4a-24
0.329
MAR-TRE-d3c2bf0e-28
0.323
MAR-TRE-d3c2bf0e-44
0.323
MAR-TRE-d3c2bf0e-74
0.318
MAR-TRE-4f39ef4a-63
0.316
MAR-TRE-4f39ef4a-45
0.312
MAR-TRE-4f39ef4a-83
0.312
MAR-TRE-4f39ef4a-88
0.311
MAR-TRE-4f39ef4a-50
0.310
MAR-TRE-4f39ef4a-57
0.307
MAR-TRE-4f39ef4a-25
0.306
MAR-TRE-4f39ef4a-75
0.306
MAR-TRE-4f39ef4a-18
0.305
MAR-TRE-d3c2bf0e-50
0.303
MAR-TRE-d3c2bf0e-46
0.303
MAR-TRE-4f39ef4a-5
0.302
MAR-TRE-4f39ef4a-82
0.300
MAR-TRE-4f39ef4a-51
0.295
MAR-TRE-d3c2bf0e-60
0.294
MAR-TRE-4f39ef4a-31
0.292
MAR-TRE-87acfbcc-20
0.292
MAR-TRE-d3c2bf0e-12
0.289
MAR-TRE-4f39ef4a-26
0.289
MAR-TRE-d3c2bf0e-11
0.288
MAR-TRE-4f39ef4a-76
0.286
MAR-TRE-4f39ef4a-34
0.283
MAR-TRE-4f39ef4a-14
0.282
MAR-TRE-4f39ef4a-56
0.282
MAR-TRE-d3c2bf0e-45
0.279
MAR-TRE-4f39ef4a-9
0.278
SHA-THE-408e7524-3
0.273
MAR-TRE-d3c2bf0e-61
0.273
MAR-TRE-d3c2bf0e-56
0.271
MAR-TRE-36bf7dba-56
0.268
MAR-TRE-4f39ef4a-80
0.267
MAR-TRE-d3c2bf0e-58
0.266
MAR-TRE-d3c2bf0e-52
0.265
MAR-TRE-4f39ef4a-53
0.260
MAR-TRE-d3c2bf0e-14
0.258
MAR-TRE-4f39ef4a-23
0.256
MAR-TRE-d3c2bf0e-78
0.254
MAR-TRE-d3c2bf0e-77
0.254
MAR-TRE-4f39ef4a-87
0.253
MAR-TRE-4f39ef4a-55
0.250
MAR-TRE-d3c2bf0e-15
0.250
MAR-TRE-4f39ef4a-84
0.247
MAR-TRE-4f39ef4a-22
0.247
MAR-TRE-4f39ef4a-71
0.247
MAR-TRE-d3c2bf0e-67
0.246
MAR-TRE-4f39ef4a-41
0.244
MAR-TRE-4f39ef4a-27
0.244
MAR-TRE-d3c2bf0e-39
0.243
MAR-TRE-d3c2bf0e-18
0.242
MAR-TRE-4f39ef4a-72
0.241
MAR-TRE-d3c2bf0e-65
0.239
MAR-TRE-d3c2bf0e-37
0.238
MAR-TRE-4f39ef4a-79
0.235
MAR-TRE-e82e6c98-72
0.235
MAR-TRE-4f39ef4a-43
0.234
MAR-TRE-4f39ef4a-20
0.232
MAR-TRE-87acfbcc-21
0.231
MAR-TRE-4f39ef4a-39
0.230
MAR-TRE-d3c2bf0e-5
0.230
MAR-TRE-4f39ef4a-58
0.229
MAR-TRE-4f39ef4a-12
0.228
MAR-TRE-4f39ef4a-16
0.227