Molecular Properties | |
SMILES: | COc1cccc(Cn2ccn(Cc3cccc(OC)c3OC)c2=[Au+]Cl)c1OC |
MW: | 600.11 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 46.78 |
cLogP: | 4.19 |
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-69
0.417
MAR-TRE-d3c2bf0e-70
0.411
MAR-TRE-d3c2bf0e-66
0.397
MAR-TRE-d3c2bf0e-31
0.379
MAR-TRE-d3c2bf0e-57
0.356
MAR-TRE-d3c2bf0e-41
0.345
MAR-TRE-d3c2bf0e-59
0.339
MAR-TRE-d3c2bf0e-55
0.328
MAR-TRE-a9136c7b-10
0.321
MAR-TRE-d3c2bf0e-29
0.312
MAR-TRE-d3c2bf0e-54
0.309
MAR-TRE-d3c2bf0e-13
0.306
MAR-TRE-d3c2bf0e-32
0.303
MAR-TRE-d3c2bf0e-2
0.294
MAR-TRE-d3c2bf0e-27
0.294
MAR-TRE-d3c2bf0e-65
0.293
MAR-TRE-4f39ef4a-60
0.292
MAR-TRE-d3c2bf0e-16
0.290
MAR-TRE-d3c2bf0e-19
0.286
MAR-TRE-d0525fbf-69
0.275
MAR-TRE-d0525fbf-28
0.273
JON-UNI-bb9dc649-16
0.265
SAD-SAT-29425be4-22
0.261
MAR-TRE-d3c2bf0e-62
0.258
MAR-TRE-d3c2bf0e-72
0.255
MAR-TRE-d3c2bf0e-73
0.254
JON-UNI-bb9dc649-8
0.253
MAR-TRE-4f39ef4a-39
0.253
MAR-TRE-d3c2bf0e-63
0.250
MAR-TRE-d3c2bf0e-37
0.250
MAR-TRE-4f39ef4a-87
0.246
MAR-TRE-d3c2bf0e-10
0.243
MAR-TRE-d3c2bf0e-79
0.242
MAR-TRE-d3c2bf0e-36
0.242
MAR-TRE-d3c2bf0e-76
0.241
MAR-TRE-4f39ef4a-70
0.239
MAR-TRE-d3c2bf0e-51
0.239
MAR-TRE-d3c2bf0e-1
0.239
MAR-TRE-d3c2bf0e-52
0.238
MAR-TRE-d3c2bf0e-82
0.237
MAR-TRE-4f39ef4a-34
0.236
MAR-TRE-d3c2bf0e-23
0.234
MAR-TRE-4f39ef4a-33
0.234
MAT-POS-ea426761-71
0.232
MAR-TRE-d3c2bf0e-60
0.231
MAR-TRE-d3c2bf0e-75
0.231
MAR-TRE-4f39ef4a-9
0.230
MAR-TRE-4f39ef4a-55
0.228
JON-UNI-bb9dc649-12
0.225
MAR-TRE-4f39ef4a-65
0.224
MAR-TRE-d3c2bf0e-34
0.224
ALP-POS-19e898d3-1
0.223
MAR-TRE-4f39ef4a-58
0.221
MAR-TRE-1c920f6f-67
0.220
MAR-TRE-4f39ef4a-12
0.219
MAT-POS-3b92565d-10
0.218
MAR-TRE-d3c2bf0e-3
0.217
MAR-TRE-d3c2bf0e-58
0.217
MAR-TRE-d3c2bf0e-47
0.215
MAR-TRE-4f39ef4a-79
0.212
MAR-TRE-d3c2bf0e-21
0.212
MAR-TRE-d3c2bf0e-8
0.212
MAR-TRE-d3c2bf0e-7
0.211
MAT-POS-e1b5ac6b-2
0.211
MAT-POS-3b92565d-4
0.211
JON-UNI-bb9dc649-9
0.211
MAR-TRE-d3c2bf0e-22
0.210
MAR-TRE-d3c2bf0e-71
0.210
MAR-TRE-4f39ef4a-5
0.209
MAT-POS-3b92565d-7
0.207
ANT-STE-dbb91f63-3
0.207
MAR-TRE-d3c2bf0e-43
0.206
MAR-TRE-d3c2bf0e-61
0.206
MAR-TRE-d3c2bf0e-42
0.206
MAR-TRE-4f39ef4a-16
0.205
MAR-TRE-4f39ef4a-50
0.205
MAT-POS-ea426761-58
0.204
MAR-TRE-d3c2bf0e-48
0.203
MAR-TRE-d3c2bf0e-38
0.203
KEI-TRE-fa9ada3e-3
0.203
MAR-TRE-d3c2bf0e-64
0.203
MAR-TRE-4f39ef4a-88
0.203
MAR-TRE-4f39ef4a-31
0.202
MAR-TRE-92684b97-10
0.202
MAR-TRE-4f39ef4a-23
0.200
MAR-TRE-4f39ef4a-73
0.200
MAR-TRE-d3c2bf0e-17
0.200
MAR-TRE-d3c2bf0e-24
0.200
MAR-TRE-d3c2bf0e-46
0.200
MAR-TRE-d3c2bf0e-50
0.200
MAT-POS-ea426761-59
0.200
MAR-TRE-4f39ef4a-26
0.200
MAR-TRE-4f39ef4a-82
0.200
MAR-TRE-d3c2bf0e-80
0.200
MAR-TRE-4f39ef4a-83
0.198
MAR-TRE-4f39ef4a-76
0.197
MAR-TRE-d3c2bf0e-67
0.197
MAR-TRE-143fb005-26
0.196
JUL-TUD-06b2044f-35
0.196
JAR-KUA-8c13982c-16
0.196