Molecular Properties | |
SMILES: | O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccnc1 |
MW: | 359.04 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.44 |
cLogP: | 2.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-000-505-461 |
rhodanine
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thioxo-thiazolidinones
vinyl michael acceptor1
ene_rhod_A(235)
Dithiocarbamate
Thiocarbonyl_group
Thiazolidinone
MAR-TRE-b77b7921-78
0.667
MAR-TRE-2fd8122f-14
0.543
KEI-TRE-d5e2018a-63
0.526
KEI-TRE-d5e2018a-21
0.525
MAR-TRE-2fd8122f-72
0.461
KEI-TRE-d5e2018a-85
0.459
MAR-TRE-67513f76-87
0.389
ALE-HEI-f28a35b5-14
0.388
MAR-TRE-74c6519b-58
0.387
MAR-TRE-74c6519b-42
0.379
MAR-TRE-67513f76-81
0.373
MAR-TRE-9c797165-87
0.366
MAR-TRE-9c797165-8
0.362
MAR-TRE-3e4e6814-61
0.357
MAR-TRE-2fd8122f-60
0.355
MAR-TRE-3e4e6814-100
0.354
MAR-UCB-195bc32d-55
0.354
MAR-TRE-b77b7921-91
0.351
KEI-TRE-d5e2018a-83
0.350
MAR-TRE-3e4e6814-50
0.348
MAR-TRE-04c86cea-97
0.348
KEI-TRE-d5e2018a-68
0.347
MAK-UNK-ca11b4f7-1
0.346
JOH-IMS-62aeb97d-5
0.346
MAR-TRE-04c86cea-93
0.343
MAR-TRE-3e4e6814-65
0.343
MAR-TRE-9c797165-95
0.343
DAR-DIA-842b4336-13
0.341
MAR-TRE-3e4e6814-66
0.340
MAR-TRE-d0525fbf-33
0.340
MAR-TRE-4b834d9a-82
0.340
MAR-TRE-fd17a9b8-39
0.340
MAR-TRE-7f7bb9f0-15
0.340
MAR-TRE-2fd8122f-62
0.333
MAR-TRE-4b834d9a-97
0.333
KEI-TRE-d5e2018a-92
0.333
MAR-TRE-2fd8122f-80
0.330
MAR-TRE-b77b7921-52
0.330
DAR-DIA-842b4336-14
0.330
MAR-TRE-04c86cea-5
0.327
MAR-TRE-7f7bb9f0-82
0.327
MAR-TRE-2fd8122f-99
0.326
DAR-DIA-842b4336-12
0.326
DAR-DIA-842b4336-11
0.326
MAR-TRE-2fd8122f-100
0.324
MAR-TRE-2fd8122f-54
0.323
MAR-TRE-4b834d9a-31
0.323
CHA-MCP-85291e1d-4
0.323
MAR-TRE-04c86cea-41
0.320
MAR-TRE-9c797165-57
0.320
DAR-DIA-842b4336-10
0.318
MAR-TRE-7f7bb9f0-30
0.318
SAN-PRS-52b81272-2
0.318
MAR-TRE-2fd8122f-49
0.317
MAR-TRE-f6f5f473-46
0.317
MAR-TRE-4b834d9a-45
0.317
KEI-TRE-d5e2018a-37
0.317
MAR-TRE-2fd8122f-91
0.317
MAR-TRE-2fd8122f-43
0.317
MAR-TRE-2fd8122f-2
0.316
MAR-TRE-9c797165-52
0.316
MAR-TRE-67513f76-93
0.315
MAK-UNK-c749d764-17
0.315
MAR-TRE-2fd8122f-93
0.314
SAD-SAT-24589cd1-4
0.314
MAR-TRE-9c797165-60
0.313
MAR-TRE-2fd8122f-68
0.313
MAR-TRE-9c797165-48
0.313
MAR-TRE-9c797165-12
0.313
MAR-TRE-67513f76-13
0.312
MAR-TRE-2fd8122f-78
0.312
ALE-HEI-f28a35b5-5
0.311
MAR-TRE-67513f76-97
0.311
MAR-TRE-f6f5f473-36
0.311
MAK-UNK-d1e89583-1
0.310
MAK-UNK-a7b37c5e-4
0.310
MAR-TRE-3e4e6814-28
0.310
MAR-TRE-9c797165-21
0.310
MAR-TRE-c317dd82-59
0.310
ALB-THE-e2bfce8e-1
0.310
MAR-TRE-2fd8122f-37
0.309
WIL-UNI-5578df48-15
0.309
MAR-TRE-74c6519b-47
0.309
DAR-DIA-842b4336-15
0.309
MAR-TRE-67513f76-73
0.309
MAR-TRE-2fd8122f-30
0.308
MAR-TRE-7f7bb9f0-12
0.308
MAR-TRE-7f7bb9f0-72
0.308
MAR-TRE-3e4e6814-79
0.308
DAR-DIA-842b4336-16
0.308
MAR-TRE-74c6519b-81
0.307
MAR-TRE-4b834d9a-96
0.307
MAR-TRE-7f7bb9f0-81
0.307
ALE-HEI-f28a35b5-16
0.307
AUS-ARG-7cfdce8f-11
0.307
MAK-UNK-a7b37c5e-5
0.307
MAR-TRE-b77b7921-74
0.306
MAR-TRE-04c86cea-64
0.305
MAR-TRE-7f7bb9f0-74
0.304
MAR-TRE-2fd8122f-39
0.304