Molecular Properties | |
SMILES: | COc1cccc(CCn2ccn(CCc3cccc(OC)c3)c2=[Au+]Cl)c1 |
MW: | 568.12 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 28.32 |
cLogP: | 4.56 |
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-3
0.475
MAR-TRE-d3c2bf0e-75
0.431
MAR-TRE-d3c2bf0e-32
0.417
MAR-TRE-d3c2bf0e-19
0.417
MAR-TRE-d3c2bf0e-31
0.383
MAR-TRE-4f39ef4a-23
0.368
MAR-TRE-d3c2bf0e-70
0.367
MAR-TRE-d3c2bf0e-62
0.365
MAR-TRE-d3c2bf0e-29
0.359
MAR-TRE-d3c2bf0e-1
0.344
MAR-TRE-d3c2bf0e-52
0.328
MAR-TRE-d3c2bf0e-47
0.323
MAR-TRE-d3c2bf0e-65
0.322
MAR-TRE-d3c2bf0e-76
0.316
MAR-TRE-d3c2bf0e-69
0.313
MAR-TRE-d3c2bf0e-36
0.311
MAR-TRE-3e4e6814-72
0.311
MAR-TRE-d3c2bf0e-82
0.310
MAR-TRE-d3c2bf0e-68
0.309
MAR-TRE-36bf7dba-54
0.308
MAR-TRE-4f781e27-56
0.304
MAR-TRE-d3c2bf0e-66
0.300
LUI-IND-2c46affe-3
0.293
MAR-TRE-d3c2bf0e-55
0.292
MAR-TRE-4f781e27-37
0.291
MAR-TRE-4f39ef4a-65
0.288
MAR-TRE-d3c2bf0e-34
0.288
ALP-POS-95b75b4d-15
0.284
MAR-TRE-d3c2bf0e-64
0.284
ALP-POS-19e898d3-2
0.283
MAR-TRE-4b834d9a-17
0.283
MAR-TRE-9d18ae8c-19
0.282
EDJ-MED-e58735b6-1
0.282
MAR-TRE-d3c2bf0e-51
0.282
MAR-TRE-d3c2bf0e-59
0.281
MAR-TRE-d3c2bf0e-73
0.281
MAR-TRE-d3c2bf0e-37
0.281
MAR-TRE-d3c2bf0e-17
0.279
MAR-TRE-8190bb11-58
0.278
MAR-TRE-4b834d9a-3
0.278
MAR-TRE-4f39ef4a-25
0.277
CHA-MCP-85291e1d-3
0.277
MAR-TRE-d3c2bf0e-21
0.277
MAR-TRE-3159af1a-82
0.277
AAR-RCN-521d1733-1
0.276
MAT-POS-ea426761-70
0.275
MAR-TRE-4f781e27-35
0.272
ALP-POS-ddb41b15-4
0.270
MAR-TRE-9d18ae8c-24
0.267
ALP-POS-fc6c627f-2
0.267
AAR-RCN-28a8122f-1
0.267
MAR-UCB-195bc32d-10
0.266
MAR-TRE-8190bb11-70
0.265
ALP-POS-fc6c627f-1
0.265
MAR-TRE-4f39ef4a-6
0.263
RAL-THA-2d450e86-11
0.262
MAR-TRE-4f39ef4a-12
0.260
MAR-TRE-d3c2bf0e-63
0.259
MAR-TRE-4f39ef4a-10
0.256
MAR-TRE-9d18ae8c-86
0.256
MAR-TRE-d3c2bf0e-11
0.254
MAR-TRE-4f39ef4a-82
0.253
MAR-TRE-4b834d9a-94
0.253
MAR-TRE-d3c2bf0e-10
0.250
MAT-POS-c79fcd02-1
0.250
MAR-TRE-d3c2bf0e-79
0.250
MAR-TRE-4f39ef4a-55
0.250
KOV-VNK-5e1a909f-4
0.250
BEN-DND-1e24cf73-6
0.247
BEN-DND-1e24cf73-7
0.247
MAR-TRE-d3c2bf0e-41
0.246
MAR-TRE-4f39ef4a-39
0.244
MAR-TRE-4f39ef4a-58
0.244
MAR-TRE-4f39ef4a-88
0.243
MAR-TRE-4f39ef4a-60
0.243
MAR-TRE-04c86cea-58
0.242
ERI-UCB-a0b0dbcb-11
0.242
MAR-TRE-4f39ef4a-34
0.242
MAR-TRE-d3c2bf0e-72
0.241
CHA-MCP-85291e1d-6
0.241
MAR-TRE-d0525fbf-22
0.240
MAR-TRE-d3c2bf0e-57
0.239
MAR-TRE-04c86cea-33
0.238
PEI-IMP-ca0b2813-3
0.237
MAR-TRE-dab8f6ea-9
0.237
MAR-TRE-14ce9fd6-90
0.236
MAR-TRE-d0525fbf-68
0.235
AAR-RCN-dbf5c5ee-1
0.235
MAR-TRE-b77b7921-89
0.234
GIA-UNK-4de5abb1-2
0.233
MAR-TRE-d3c2bf0e-42
0.232
MAR-TRE-f5c2d31c-97
0.232
MAR-TRE-4f39ef4a-1
0.232
MAR-TRE-0fda4e82-65
0.231
MAR-TRE-04c86cea-20
0.231
MAR-TRE-6a44bbf2-76
0.231
MAR-TRE-74c6519b-19
0.230
DAR-DIA-caba39e3-2
0.230
MAR-TRE-d3c2bf0e-27
0.230
MAR-TRE-66ac689e-97
0.229