Molecular Properties | |
SMILES: | COC(=O)c1cccc(NS(C)(=O)=O)c1 |
MW: | 229.257 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 72.47 |
cLogP: | 0.8447 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-318985 |
Enamine SCR: | Z24758179 |
Enamine REAL: | Z24758179 |
Enamine Extended REAL: | s_276436____14076652____14086514 |
Mcule: | MCULE-1621455310 |
MolPort: | MolPort-002-897-499 |
Order Status | |
Shipped: | 2021-04-16 |
Ester
Hetero_hetero
AAR-POS-d2a4d1df-1
MAK-UNK-6435e6c2-7
1.000
MAK-UNK-9159f8ed-7
0.465
MAK-UNK-9159f8ed-3
0.464
MAK-UNK-902cc841-11
0.452
MAK-UNK-902cc841-14
0.446
MAK-UNK-902cc841-12
0.444
MAK-UNK-9159f8ed-5
0.440
MAK-UNK-902cc841-13
0.434
MAK-UNK-9159f8ed-2
0.421
MAK-UNK-9159f8ed-4
0.418
MAK-UNK-9159f8ed-1
0.405
WIL-UNI-1faa9b10-7
0.394
MAR-TRE-799db12b-73
0.388
MAK-UNK-9159f8ed-6
0.378
MAK-UNK-1e8f9e3c-1
0.378
JAR-IMP-ed466bb3-18
0.370
WIL-UNI-1faa9b10-2
0.364
MAR-TRE-66ac689e-73
0.348
IND-SYN-5e5c1c3e-3
0.339
IND-SYN-a2b2ab0e-3
0.339
IND-SYN-a2b2ab0e-4
0.333
MAR-TRE-8190bb11-10
0.333
IND-SYN-5e5c1c3e-4
0.333
MAK-UNK-10dfa458-23
0.317
MAR-TRE-fd17a9b8-52
0.310
MAT-POS-7dfc56d9-1
0.308
SAN-PRS-c955de36-1
0.306
LON-WEI-adc59df6-24
0.300
MAK-UNK-10dfa458-32
0.289
NAU-LAT-f723e322-3
0.288
RAF-SAT-b3ff87a1-2
0.287
MAK-UNK-27459e11-15
0.286
JON-UIO-d041ac75-4
0.286
JON-UIO-d041ac75-5
0.286
DAV-AUT-7eb4e0c3-3
0.281
TAT-ENA-80bfd3e5-45
0.280
MAT-POS-fa06b69f-7
0.280
MAR-TRE-ebcc4ad6-38
0.280
TAM-UNI-d1c3dd9f-22
0.278
TAT-ENA-80bfd3e5-44
0.276
MAR-TRE-3e4e6814-63
0.269
LIZ-THE-d3ff4653-2
0.262
LIZ-THE-d3ff4653-1
0.259
JAN-GHE-1d98ec1c-9
0.257
MAK-UNK-27459e11-16
0.254
MAR-TRE-a3327163-14
0.254
MAR-TRE-0fda4e82-10
0.250
CHA-MCP-85291e1d-6
0.250
DAV-IMP-59dd6621-22
0.250
MAR-TRE-8190bb11-87
0.250
WIL-UNI-1faa9b10-44
0.250
MAR-TRE-fd17a9b8-63
0.250
MAT-POS-90fd5f68-12
0.247
MAT-POS-90fd5f68-30
0.247
MAK-UNK-10dfa458-25
0.247
ANT-DIA-b7f58f21-2
0.246
MIH-UNI-e573136b-15
0.244
MAR-TRE-8190bb11-4
0.244
MAK-UNK-27459e11-10
0.242
JOO-IND-6372a4f3-3
0.240
MAR-TRE-799db12b-39
0.240
DAN-MCD-0742953f-1
0.240
JOK-SYG-a0b0bf84-1
0.239
JAG-UCB-ef2c0e8e-2
0.239
IND-SYN-2c708b29-5
0.237
IND-SYN-aa221fbf-1
0.237
MAR-TRE-4f781e27-37
0.237
IND-SYN-6c8299e8-11
0.236
AAR-UNI-c25c2f1e-30
0.236
IND-SYN-64980207-1
0.236
WEI-UNI-64684f14-1
0.236
SWA-SYN-40d44a84-2
0.235
MAR-TRE-92684b97-1
0.235
MAR-TRE-4f781e27-80
0.234
MAR-TRE-9d18ae8c-80
0.234
EDG-MED-10fcb19e-2
0.232
EDG-MED-10fcb19e-1
0.232
JON-UIO-56032f80-2
0.229
JON-UIO-d041ac75-11
0.225
MAR-TRE-9d18ae8c-36
0.225
MAR-TRE-799db12b-86
0.225
JAN-GHE-1d98ec1c-7
0.224
LON-WEI-b8d98729-4
0.224
LON-WEI-120e5cf5-19
0.224
ADA-UNI-f8e79267-7
0.224
CHR-SOS-7098f804-8
0.222
KEI-TRE-d5e2018a-7
0.222
MAR-TRE-9d18ae8c-1
0.222
MAR-TRE-4b834d9a-16
0.222
WIL-UNI-1faa9b10-21
0.221
JON-UIO-56032f80-1
0.221
WIL-LEE-364b6ea8-16
0.221
PET-UNK-6e612674-12
0.220
PET-UNK-6e612674-4
0.220
KEI-TRE-d5e2018a-34
0.220
JOO-IND-6372a4f3-1
0.219
WIL-UNI-5578df48-22
0.219
MAR-TRE-fd17a9b8-56
0.218
CHR-SOS-7098f804-9
0.218
MAR-TRE-2fd8122f-98
0.218