Molecular Properties | |
SMILES: | OCC(c1ccccc1)n1ccn(C(CO)c2ccccc2)c1=[Au+]Cl |
MW: | 540.09 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 50.32 |
cLogP: | 3.22 |
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
Undesirable_Elements_Salts
MAR-TRE-d3c2bf0e-39
0.418
MAR-TRE-d3c2bf0e-44
0.360
MAR-TRE-d3c2bf0e-11
0.356
MAR-TRE-d3c2bf0e-14
0.353
MAR-TRE-d3c2bf0e-46
0.333
MAR-TRE-d3c2bf0e-22
0.327
MAR-TRE-d3c2bf0e-26
0.321
MAR-TRE-d3c2bf0e-43
0.321
MAR-TRE-d3c2bf0e-25
0.320
MAR-TRE-d3c2bf0e-28
0.309
MAR-TRE-d3c2bf0e-45
0.304
MAR-TRE-d3c2bf0e-40
0.302
MAR-TRE-d3c2bf0e-61
0.296
MAR-TRE-d3c2bf0e-80
0.286
MAR-TRE-d3c2bf0e-5
0.283
MAR-TRE-d3c2bf0e-74
0.281
MAR-TRE-d3c2bf0e-71
0.278
MAR-TRE-d3c2bf0e-35
0.278
MAR-TRE-4f39ef4a-61
0.277
MAR-TRE-d3c2bf0e-60
0.276
MAR-TRE-d3c2bf0e-56
0.271
MAR-TRE-4f39ef4a-76
0.269
MAR-TRE-4f39ef4a-89
0.266
MAR-TRE-4f39ef4a-66
0.266
MAR-TRE-d3c2bf0e-6
0.266
MAR-TRE-d3c2bf0e-10
0.266
MAR-TRE-d3c2bf0e-30
0.263
MAR-TRE-d3c2bf0e-50
0.263
MAR-TRE-d3c2bf0e-62
0.262
GIA-UNK-c4371e97-2
0.262
MAR-TRE-fffca54f-75
0.261
GIA-UNK-20b63697-7
0.258
MAR-TRE-d3c2bf0e-37
0.255
MAR-TRE-d3c2bf0e-57
0.254
MAR-TRE-d3c2bf0e-8
0.254
MAR-TRE-d3c2bf0e-12
0.254
MAR-TRE-4f39ef4a-10
0.254
SEL-UNI-cd366922-2
0.254
MAR-TRE-d3c2bf0e-38
0.250
MAR-TRE-4f39ef4a-40
0.250
MAR-TRE-4f39ef4a-63
0.250
MAR-TRE-d3c2bf0e-77
0.250
MAR-TRE-4f39ef4a-35
0.250
MAR-TRE-d3c2bf0e-48
0.250
MAR-TRE-d3c2bf0e-78
0.250
MAR-TRE-4f39ef4a-48
0.246
MAR-TRE-4f39ef4a-44
0.246
MAR-TRE-4f39ef4a-78
0.246
MAR-TRE-4f39ef4a-59
0.246
VLA-UNK-b5cf542b-1
0.245
MAR-TRE-d3c2bf0e-76
0.245
GIA-UNK-c4371e97-1
0.243
SIM-SYN-f15aaa3a-1
0.242
MAR-TRE-d3c2bf0e-41
0.241
MAR-TRE-d3c2bf0e-58
0.241
MAR-TRE-d3c2bf0e-67
0.241
MAR-TRE-d3c2bf0e-9
0.241
MAR-TRE-4f39ef4a-5
0.241
MAR-TRE-4f39ef4a-11
0.239
MAR-TRE-4f39ef4a-21
0.239
MAR-TRE-4f39ef4a-58
0.239
GIA-UNK-4de5abb1-1
0.239
MAR-TRE-4f39ef4a-86
0.239
MAR-TRE-d3c2bf0e-3
0.238
MAR-TRE-d3c2bf0e-20
0.237
MAR-TRE-d3c2bf0e-59
0.237
MAR-TRE-d3c2bf0e-81
0.236
MAR-TRE-d3c2bf0e-49
0.236
MAR-TRE-4f39ef4a-62
0.235
MAR-TRE-d3c2bf0e-18
0.235
MAR-TRE-d3c2bf0e-72
0.235
MAR-TRE-4f39ef4a-13
0.233
MAR-TRE-4f39ef4a-30
0.233
GIA-UNK-7337c2f3-8
0.233
MAR-TRE-d3c2bf0e-65
0.232
MAR-TRE-4f39ef4a-32
0.232
MAK-UNK-90d0606b-3
0.231
MAR-TRE-d3c2bf0e-7
0.231
MAR-TRE-d3c2bf0e-63
0.231
MAK-UNK-6ca90168-11
0.231
MAR-TRE-87acfbcc-71
0.231
MAR-TRE-4f39ef4a-87
0.231
MAR-TRE-f5c2d31c-84
0.230
MAR-TRE-4f39ef4a-24
0.230
MAK-UNK-5d2caa6f-3
0.230
ALP-POS-90c18d1d-1
0.229
MAR-TRE-4f39ef4a-54
0.229
MAR-TRE-4f39ef4a-14
0.229
GIA-UNK-20b63697-1
0.229
MAR-TRE-d3c2bf0e-42
0.226
MAR-TRE-4f39ef4a-68
0.225
MAR-TRE-36bf7dba-30
0.225
MAR-TRE-4f39ef4a-67
0.225
SEL-UNI-cd366922-5
0.225
MAR-TRE-d3c2bf0e-15
0.224
LON-WEI-1908424e-16
0.224
MAR-TRE-87acfbcc-50
0.224
MAR-TRE-6a44bbf2-92
0.224
MAR-TRE-d3c2bf0e-2
0.224
MAR-TRE-4f39ef4a-39
0.224