Molecular Properties | |
SMILES: | O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccnc1 |
MW: | 432.96 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 3.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9554544482 |
MolPort: | MolPort-000-660-426 |
rhodanine
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thioxo-thiazolidinones
Filter9_metal
aryl bromide
vinyl michael acceptor1
ene_rhod_A(235)
Dithiocarbamate
Thiocarbonyl_group
Thiazolidinone
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-21
0.490
KEI-TRE-d5e2018a-63
0.475
MAR-TRE-b77b7921-78
0.469
MAR-TRE-9c797165-31
0.459
MAR-TRE-b77b7921-91
0.391
KEI-TRE-d5e2018a-45
0.368
MAR-TRE-2fd8122f-91
0.367
KEI-TRE-d5e2018a-37
0.367
MAR-TRE-2fd8122f-43
0.367
MAR-TRE-f6f5f473-46
0.367
MAR-TRE-4b834d9a-45
0.367
ALE-HEI-f28a35b5-14
0.366
MAR-TRE-7f7bb9f0-84
0.363
MAR-TRE-2fd8122f-9
0.363
KEI-TRE-d5e2018a-6
0.363
MAR-TRE-2fd8122f-54
0.361
MAR-TRE-67513f76-97
0.360
MAR-TRE-2fd8122f-49
0.354
MAR-TRE-3e4e6814-65
0.354
MAR-TRE-b77b7921-52
0.354
MAR-TRE-67513f76-81
0.351
MAR-TRE-3e4e6814-66
0.350
MAR-TRE-3e4e6814-80
0.342
JOH-IMS-62aeb97d-5
0.342
MAK-UNK-ca11b4f7-1
0.342
MAR-TRE-2fd8122f-78
0.337
TAM-UNI-c140e31a-7
0.337
MAR-TRE-2fd8122f-14
0.336
MAR-TRE-67513f76-73
0.333
MAR-TRE-2fd8122f-63
0.333
MAR-TRE-67513f76-55
0.333
MAR-TRE-4b834d9a-31
0.333
MAR-TRE-74c6519b-54
0.333
MAR-TRE-7f7bb9f0-28
0.330
TAM-UNI-c140e31a-13
0.330
MAR-TRE-04c86cea-97
0.330
SAN-PRS-52b81272-2
0.329
TAM-UNI-c140e31a-1
0.327
MAR-TRE-2fd8122f-39
0.327
MAR-TRE-74c6519b-58
0.327
KEI-TRE-d5e2018a-14
0.327
MAK-UNK-c749d764-13
0.326
TAM-UNI-c140e31a-12
0.324
MAR-TRE-2fd8122f-68
0.323
MAR-TRE-9c797165-60
0.323
NAU-LAT-64f4b287-10
0.323
CHR-SOS-70e4c98a-6
0.323
MAR-TRE-2fd8122f-57
0.323
EDG-MED-0da5ad92-2
0.322
TAM-UNI-c140e31a-14
0.321
MAR-TRE-9c797165-21
0.320
MAR-TRE-c317dd82-59
0.320
CHA-MCP-85291e1d-4
0.320
DAR-DIA-842b4336-16
0.319
KEI-TRE-d5e2018a-26
0.317
KEI-TRE-d5e2018a-67
0.317
MAR-TRE-4b834d9a-96
0.317
CHA-MCP-85291e1d-1
0.316
MAR-TRE-3e4e6814-50
0.316
CHR-SOS-70e4c98a-8
0.316
MAR-TRE-7f7bb9f0-74
0.315
MAK-UNK-c749d764-27
0.315
DAR-DIA-842b4336-10
0.315
MAR-TRE-3e4e6814-45
0.314
MAR-TRE-04c86cea-93
0.314
MAR-TRE-9c797165-52
0.312
CHA-MCP-85291e1d-5
0.312
MAR-TRE-7f7bb9f0-56
0.312
DAR-DIA-842b4336-14
0.312
MAR-TRE-d0525fbf-33
0.311
MAK-UNK-c749d764-17
0.311
DAR-DIA-23aa0b97-16
0.311
SAD-SAT-24589cd1-4
0.310
MAR-TRE-2fd8122f-72
0.310
MAR-TRE-d0525fbf-64
0.310
KEI-TRE-d5e2018a-74
0.310
KEI-TRE-d5e2018a-60
0.310
MAR-TRE-2fd8122f-99
0.309
MAR-TRE-67513f76-13
0.309
CHR-SOS-70e4c98a-3
0.309
TAM-UNI-c140e31a-6
0.308
DAR-DIA-842b4336-13
0.308
DAR-DIA-842b4336-11
0.308
ALE-HEI-f28a35b5-5
0.308
DAR-DIA-842b4336-12
0.308
MAR-TRE-74c6519b-42
0.307
MAK-UNK-a7b37c5e-4
0.307
MAR-TRE-2fd8122f-37
0.306
KEI-TRE-d5e2018a-64
0.306
MAR-TRE-7f7bb9f0-50
0.306
ANN-UNI-26382800-5
0.305
MAR-TRE-7f7bb9f0-46
0.305
MAR-TRE-2fd8122f-30
0.305
MAR-TRE-4b834d9a-97
0.305
MAR-TRE-7f7bb9f0-72
0.305
MED-UNK-e6e8ef8a-2
0.304
FRA-FAC-9ed5a63a-2
0.304
KEI-TRE-d5e2018a-7
0.304
MAR-TRE-4b834d9a-16
0.304
MAR-TRE-7f7bb9f0-81
0.304