Molecular Properties | |
SMILES: | O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccnc1 |
MW: | 375.02 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 3.37 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-000-502-712 |
rhodanine
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thioxo-thiazolidinones
vinyl michael acceptor1
ene_rhod_A(235)
Dithiocarbamate
Thiocarbonyl_group
Thiazolidinone
MAR-TRE-9c797165-31
0.667
KEI-TRE-d5e2018a-63
0.537
KEI-TRE-d5e2018a-21
0.505
KEI-TRE-d5e2018a-85
0.469
MAR-TRE-2fd8122f-72
0.422
ALE-HEI-f28a35b5-14
0.397
MAR-TRE-74c6519b-58
0.396
MAR-TRE-74c6519b-42
0.387
MAR-TRE-2fd8122f-14
0.373
MAR-TRE-67513f76-81
0.365
MAR-TRE-3e4e6814-61
0.365
MAR-TRE-04c86cea-93
0.365
MAR-TRE-3e4e6814-66
0.361
MAR-TRE-3e4e6814-100
0.361
KEI-TRE-d5e2018a-51
0.356
MAK-UNK-ca11b4f7-1
0.355
JOH-IMS-62aeb97d-5
0.355
KEI-TRE-d5e2018a-68
0.354
MAR-TRE-9c797165-52
0.352
MAR-TRE-3e4e6814-65
0.351
MAR-TRE-9c797165-95
0.350
MAR-TRE-2fd8122f-99
0.348
MAR-TRE-d0525fbf-33
0.347
MAR-TRE-9c797165-87
0.347
MAR-TRE-b77b7921-91
0.344
DAR-DIA-842b4336-10
0.341
MAR-TRE-04c86cea-97
0.341
KEI-TRE-d5e2018a-92
0.340
MAR-TRE-2fd8122f-62
0.340
MAR-TRE-4b834d9a-97
0.340
MAR-TRE-74c6519b-35
0.340
MAR-TRE-2fd8122f-43
0.337
MAR-TRE-2fd8122f-80
0.337
DAR-DIA-842b4336-13
0.333
MAR-TRE-fd17a9b8-39
0.333
MAR-TRE-4b834d9a-82
0.333
MAR-TRE-04c86cea-5
0.333
DAR-DIA-842b4336-11
0.333
MAR-TRE-7f7bb9f0-15
0.333
MAR-TRE-2fd8122f-100
0.330
MAR-TRE-4b834d9a-31
0.330
MAK-UNK-a7b37c5e-5
0.329
MAR-TRE-9c797165-57
0.327
MAR-TRE-2fd8122f-32
0.327
MAR-TRE-3e4e6814-50
0.326
SAN-PRS-52b81272-2
0.325
MAR-TRE-7f7bb9f0-30
0.324
MAR-TRE-7f7bb9f0-38
0.324
MAR-TRE-b77b7921-52
0.323
MAR-TRE-67513f76-87
0.323
MAR-TRE-67513f76-93
0.322
MAR-TRE-7f7bb9f0-56
0.322
ALE-HEI-f28a35b5-9
0.322
AAR-POS-d2a4d1df-13
0.322
FRA-FAC-9ed5a63a-1
0.322
SAD-SAT-24589cd1-4
0.321
MAR-TRE-2fd8122f-93
0.320
KEI-TRE-d5e2018a-58
0.320
MAR-TRE-7f7bb9f0-82
0.320
MAR-TRE-4b834d9a-43
0.320
MAR-TRE-9c797165-60
0.320
MAR-TRE-d0525fbf-64
0.320
MAR-TRE-9c797165-12
0.320
MAR-TRE-67513f76-13
0.319
MAR-TRE-2fd8122f-78
0.319
ALE-HEI-f28a35b5-5
0.318
DAR-DIA-842b4336-12
0.318
MAK-UNK-a7b37c5e-4
0.318
MAK-UNK-d1e89583-1
0.318
MAR-TRE-67513f76-97
0.317
MAR-TRE-2fd8122f-54
0.316
MAR-TRE-c317dd82-59
0.316
MAR-TRE-3e4e6814-28
0.316
MAR-TRE-9c797165-21
0.316
MAR-TRE-2fd8122f-37
0.316
CHA-MCP-85291e1d-4
0.316
MAR-TRE-f6f5f473-2
0.316
ALB-THE-e2bfce8e-1
0.315
MAR-TRE-67513f76-73
0.315
MED-UNK-e6e8ef8a-2
0.315
FRA-FAC-9ed5a63a-2
0.315
ALE-HEI-f28a35b5-16
0.314
AUS-ARG-7cfdce8f-11
0.314
MAR-TRE-7f7bb9f0-72
0.314
MAR-TRE-2fd8122f-30
0.314
MAR-TRE-4b834d9a-96
0.313
MAR-TRE-7f7bb9f0-90
0.312
MAR-TRE-7f7bb9f0-74
0.311
MAK-UNK-c749d764-27
0.311
MAR-TRE-2fd8122f-49
0.310
MAR-TRE-4b834d9a-45
0.310
MAR-TRE-f6f5f473-46
0.310
KEI-TRE-d5e2018a-37
0.310
MAR-TRE-2fd8122f-91
0.310
DAR-DIA-842b4336-1
0.310
MAR-TRE-b77b7921-17
0.309
PAU-UNI-b33c5197-1
0.308
MAR-TRE-04c86cea-87
0.308
MAK-UNK-ca11b4f7-2
0.308
DAR-DIA-842b4336-14
0.308