Molecular Properties | |
SMILES: | COc1ccc(Cn2ccn(Cc3ccc(OC)cc3)c2=[Au+]Cl)cc1 |
MW: | 540.09 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 28.32 |
cLogP: | 4.17 |
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-31
0.587
MAR-TRE-d3c2bf0e-59
0.565
MAR-TRE-d3c2bf0e-69
0.529
MAR-TRE-d3c2bf0e-66
0.500
MAR-TRE-d3c2bf0e-29
0.453
MAR-TRE-d3c2bf0e-55
0.423
MAR-TRE-d3c2bf0e-68
0.411
MAR-TRE-d3c2bf0e-27
0.397
MAR-TRE-d3c2bf0e-54
0.367
MAR-TRE-d3c2bf0e-41
0.365
MAR-TRE-d3c2bf0e-57
0.352
MAR-TRE-d3c2bf0e-65
0.333
MAR-TRE-d3c2bf0e-19
0.333
MAR-TRE-d3c2bf0e-16
0.323
MAR-TRE-d3c2bf0e-13
0.321
MAR-TRE-d3c2bf0e-32
0.314
MAR-TRE-d3c2bf0e-2
0.306
MAR-TRE-d3c2bf0e-75
0.304
MAR-TRE-4f39ef4a-65
0.293
MAR-TRE-d3c2bf0e-72
0.292
MAR-TRE-d3c2bf0e-51
0.286
MAR-TRE-d3c2bf0e-63
0.286
MAR-TRE-4f39ef4a-55
0.286
MAR-TRE-d3c2bf0e-37
0.286
MAR-TRE-d3c2bf0e-73
0.286
MAR-TRE-d3c2bf0e-3
0.283
MAR-TRE-2fd8122f-64
0.275
MAR-TRE-d3c2bf0e-76
0.275
MAR-TRE-e86a56b5-64
0.271
MAR-TRE-d3c2bf0e-79
0.271
MAR-TRE-1c920f6f-59
0.271
MAR-TRE-d3c2bf0e-82
0.269
MAR-TRE-d3c2bf0e-52
0.268
MAR-TRE-e86a56b5-83
0.267
MAR-TRE-66ac689e-89
0.267
MAR-TRE-d3c2bf0e-47
0.263
AAR-POS-0daf6b7e-18
0.258
MAR-TRE-4f39ef4a-23
0.258
MAR-TRE-d3c2bf0e-48
0.255
MAR-TRE-4f39ef4a-87
0.254
MAR-TRE-d0525fbf-59
0.253
MAR-TRE-14ce9fd6-77
0.250
MAR-TRE-e86a56b5-74
0.250
MAR-TRE-d3c2bf0e-34
0.250
MAR-TRE-d3c2bf0e-36
0.250
MAR-TRE-4f39ef4a-70
0.246
MAR-TRE-d3c2bf0e-62
0.246
MAR-TRE-d3c2bf0e-64
0.246
LIZ-THE-6efed59f-3
0.245
MAR-TRE-4f39ef4a-39
0.243
MAR-TRE-4f39ef4a-41
0.243
MAR-TRE-85681e92-91
0.242
MAR-TRE-4f39ef4a-73
0.242
MAR-TRE-d3c2bf0e-23
0.241
MAR-TRE-6c5ef77a-65
0.241
MAR-TRE-4f39ef4a-33
0.239
MAR-TRE-799db12b-84
0.239
MAT-POS-b5746674-133
0.238
MAR-TRE-d3c2bf0e-8
0.237
MAR-TRE-d3c2bf0e-21
0.237
MAR-TRE-d3c2bf0e-60
0.237
MAR-TRE-d3c2bf0e-71
0.236
MAR-TRE-4f39ef4a-52
0.236
JOH-UNK-14e6adc5-7
0.236
TAN-UNK-0373ceaf-1
0.236
MAR-TRE-a3327163-70
0.235
MAK-UNK-3f402c2b-27
0.235
MAR-TRE-d3c2bf0e-7
0.234
ANT-STE-dbb91f63-1
0.234
MAR-TRE-b77b7921-82
0.233
MAR-TRE-1c920f6f-97
0.233
MAR-TRE-4f39ef4a-25
0.231
MAR-TRE-a3327163-40
0.231
MAR-TRE-d3c2bf0e-10
0.231
MAR-TRE-d3c2bf0e-38
0.231
MAR-TRE-d3c2bf0e-42
0.230
MAR-TRE-d0525fbf-25
0.228
MAR-TRE-4f39ef4a-34
0.226
MAR-TRE-d3c2bf0e-1
0.226
MAR-TRE-0fda4e82-41
0.224
MAR-TRE-0fda4e82-74
0.224
MAR-TRE-d3c2bf0e-80
0.224
MAR-TRE-d3c2bf0e-46
0.224
MAR-TRE-d3c2bf0e-50
0.224
MAR-TRE-4f39ef4a-88
0.224
MAR-TRE-4f39ef4a-16
0.224
DRA-CSI-47e38074-8
0.224
MAR-TRE-4f39ef4a-60
0.222
MAR-TRE-d3c2bf0e-24
0.222
DRA-CSI-47e38074-13
0.222
MAR-TRE-d3c2bf0e-17
0.222
MAR-TRE-d3c2bf0e-58
0.222
MAK-UNK-7c9d1431-17
0.221
MAR-TRE-6a44bbf2-77
0.221
MAT-POS-162a9720-11
0.220
MAR-TRE-4f39ef4a-13
0.219
MAR-TRE-4f39ef4a-82
0.219
MAR-TRE-74c6519b-62
0.219
MAR-TRE-4f39ef4a-40
0.217
MAR-TRE-4f39ef4a-24
0.216