Molecular Properties | |
SMILES: | O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)CSC1=S |
MW: | 297.01 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.84 |
cLogP: | 1.25 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5648745523 |
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
rhod_sat_A(33)
Dithiocarbamate
Thiocarbonyl_group
Thiazolidinone
MAR-TRE-e86a56b5-21
0.525
MAR-TRE-e86a56b5-11
0.500
MAR-TRE-e86a56b5-15
0.500
MAR-TRE-e86a56b5-6
0.476
MAR-TRE-e86a56b5-39
0.413
MAR-TRE-4f39ef4a-40
0.397
MAR-TRE-e86a56b5-5
0.394
MAR-TRE-fffca54f-96
0.361
MAR-TRE-e86a56b5-63
0.361
MAR-TRE-e86a56b5-50
0.357
MAR-TRE-e86a56b5-45
0.344
MAR-TRE-e86a56b5-62
0.344
MAR-TRE-4f39ef4a-52
0.333
MAR-TRE-e86a56b5-98
0.328
MAR-TRE-e86a56b5-99
0.323
MAR-TRE-e86a56b5-84
0.316
MAR-TRE-e86a56b5-47
0.313
MAR-TRE-e86a56b5-58
0.312
MAR-TRE-e86a56b5-67
0.310
MAR-TRE-e86a56b5-56
0.303
MAR-TRE-85681e92-70
0.300
MAR-TRE-e86a56b5-31
0.300
MAR-TRE-e86a56b5-81
0.300
MAR-TRE-ebcc4ad6-35
0.298
MAR-TRE-e86a56b5-28
0.297
MAR-TRE-e86a56b5-19
0.289
MAR-TRE-4f39ef4a-25
0.289
MAR-TRE-e86a56b5-66
0.288
MAR-TRE-e86a56b5-25
0.284
AAR-POS-d2a4d1df-16
0.280
MAR-TRE-e86a56b5-46
0.280
MAR-TRE-e86a56b5-69
0.278
MAR-TRE-e86a56b5-55
0.276
MAR-TRE-e86a56b5-73
0.276
VOL-CHA-d666e5ae-4
0.275
MAR-UCB-195bc32d-43
0.269
MAR-TRE-e86a56b5-97
0.265
NIC-BIO-a68395b7-1
0.265
MAR-TRE-4f39ef4a-44
0.263
VOL-CHA-d666e5ae-5
0.263
VOL-CHA-d666e5ae-3
0.259
TRY-UNI-9f475305-11
0.259
MAR-TRE-85681e92-51
0.257
NIC-BIO-a68395b7-3
0.256
NIC-BIO-a68395b7-5
0.256
VOL-CHA-d666e5ae-1
0.256
NIC-BIO-a68395b7-4
0.256
NIM-UNI-ed9fc491-1
0.256
MAR-TRE-d3c2bf0e-8
0.254
MAR-TRE-e86a56b5-36
0.253
NIM-UNI-ed9fc491-2
0.253
NIM-UNI-ed9fc491-3
0.250
TRY-UNI-9f475305-10
0.247
VOL-CHA-d666e5ae-2
0.247
NIC-BIO-a68395b7-2
0.247
MAR-TRE-e86a56b5-77
0.244
CHA-KIN-bfe9b535-1
0.242
MAR-TRE-e86a56b5-65
0.242
MAR-TRE-4f39ef4a-21
0.241
MAR-TRE-4f39ef4a-10
0.237
MAR-TRE-e86a56b5-42
0.236
NIM-UNI-ed9fc491-4
0.235
MAR-TRE-4f39ef4a-13
0.235
MAR-TRE-4f39ef4a-30
0.235
MAR-TRE-36bf7dba-64
0.235
MAR-TRE-4f39ef4a-32
0.234
CHA-KIN-bfe9b535-3
0.234
MAK-UNK-10799360-26
0.233
MAR-TRE-e86a56b5-2
0.233
MAR-TRE-4f39ef4a-24
0.232
MAK-UNK-c44f4be0-7
0.232
MAR-TRE-fffca54f-71
0.231
MAR-TRE-e86a56b5-57
0.231
MAR-TRE-e86a56b5-74
0.231
CHA-KIN-bfe9b535-8
0.230
MAR-UCB-195bc32d-14
0.230
MAR-TRE-4f39ef4a-66
0.230
MAR-TRE-e86a56b5-40
0.229
SEA-TRI-8252c13b-1
0.227
MAR-TRE-4f39ef4a-41
0.225
MAK-UNK-c44f4be0-8
0.224
MAR-TRE-e86a56b5-71
0.221
SHA-THE-408e7524-23
0.218
GIA-UNK-a33ae3bd-1
0.218
MAR-TRE-e86a56b5-54
0.218
MAK-UNK-c44f4be0-4
0.218
MAR-TRE-e86a56b5-88
0.217
MAK-UNK-c44f4be0-10
0.217
LON-WEI-ff7b210a-1
0.216
LOR-NOR-c954e7ad-4
0.216
MAR-TRE-e86a56b5-30
0.216
MAR-TRE-e86a56b5-49
0.214
CHA-KIN-bfe9b535-4
0.213
CHA-KIN-bfe9b535-7
0.213
MAK-UNK-c44f4be0-14
0.213
MAR-TRE-e86a56b5-86
0.212
MAR-TRE-e86a56b5-64
0.211
MAR-TRE-e86a56b5-90
0.211
MED-COV-4280ac29-2
0.211
CHA-KIN-bfe9b535-6
0.211