Molecular Properties | |
SMILES: | CC(=O)NCc1ccc(S(N)(=O)=O)cc1 |
MW: | 228.273 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 89.26 |
cLogP: | -0.0299000000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-13273 |
Enamine SCR: | Z30932204 |
Mcule: | MCULE-2344206158 |
Mcule Ultimate: | AHQONKCJXWTTOW-UHFFFAOYSA-N |
MolPort: | MolPort-002-468-933 |
Order Status | |
Shipped: | 2021-04-16 |
AAR-POS-d2a4d1df-1
SAD-SAT-65574d3f-2
0.614
MAR-TRE-6a44bbf2-73
0.614
MAR-TRE-6a44bbf2-5
0.551
SAD-SAT-1f400d17-7
0.415
MAT-POS-7dfc56d9-1
0.391
SIM-DEM-5935bd74-4
0.383
WIL-LEE-23e8b574-7
0.373
MAR-TRE-8190bb11-13
0.367
MAR-TRE-8190bb11-24
0.356
GAB-REV-70cc3ca5-20
0.349
NIM-UNI-43fe0159-8
0.344
LIZ-THE-6efed59f-3
0.341
LIZ-THE-57c545eb-1
0.340
JON-UIO-82a15e73-10
0.338
AAR-POS-d2a4d1df-15
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WIL-UNI-1faa9b10-33
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MAR-TRE-8190bb11-50
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SIM-DEM-5935bd74-3
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MAR-TRE-a3327163-68
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LIZ-THE-6efed59f-2
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LIZ-THE-6efed59f-1
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LIZ-THE-d3ff4653-2
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EDJ-MED-8698005e-1
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LIZ-THE-d3ff4653-1
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NIC-BIO-7d400292-2
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JON-UIO-d28d79fe-4
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JAN-GHE-1d98ec1c-1
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MAR-TRE-87acfbcc-44
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MAK-UNK-f983951f-26
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NIC-BIO-a68395b7-5
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MAR-TRE-423310b6-30
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NIC-BIO-a68395b7-3
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WAR-XCH-b72a1bbc-14
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VIJ-CYC-1a381570-7
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MAR-TRE-f5c2d31c-72
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JAN-GHE-1d98ec1c-10
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WAR-XCH-b72a1bbc-2
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JON-UIO-066ce08b-13
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MAR-TRE-2fd8122f-5
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JON-UIO-d28d79fe-7
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IND-SYN-a2b2ab0e-1
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IND-SYN-5e5c1c3e-2
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NIC-BIO-a68395b7-2
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ANT-DIA-b7f58f21-4
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WAR-XCH-b72a1bbc-3
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IND-SYN-a2b2ab0e-2
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IND-SYN-830dcead-1
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MAR-TRE-4f781e27-99
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IND-SYN-5e5c1c3e-1
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MAR-TRE-799db12b-35
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MAK-UNK-f983951f-23
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ANG-FNM-4baa7e20-1
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RHY-UNK-4b26e9be-1
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JON-UIO-d28d79fe-5
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DAV-CRI-14a23e73-1
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JON-UIO-82a15e73-5
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SAD-SAT-135344c3-2
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WAR-XCH-b6889685-54
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AAR-UNI-c25c2f1e-27
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SIM-DEM-5935bd74-2
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MAR-TRE-fffca54f-98
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WAR-XCH-b72a1bbc-1
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SEL-UNI-cd366922-7
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GAB-REV-70cc3ca5-3
0.264
MIH-UNI-6b9ca91a-9
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MAK-UNK-69bf97dd-9
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WAR-XCH-b72a1bbc-9
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WAR-XCH-b72a1bbc-23
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WAR-XCH-b6889685-23
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ALP-UNI-8e43a71e-16
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ALP-UNI-3496895b-16
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PET-SGC-85e821e4-1
0.262
RAL-MED-2de63afb-12
0.261
PED-UNI-292b67d6-1
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WAR-XCH-b72a1bbc-4
0.259
MAR-TRE-a3327163-57
0.258
EDJ-MED-f073a5ff-2
0.257
WAR-XCH-b6889685-45
0.257
WAL-WAB-c1441da0-1
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WAR-XCH-b6889685-20
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JAN-GHE-1d98ec1c-9
0.254
MAR-TRE-8190bb11-85
0.250
WAR-XCH-b72a1bbc-48
0.250
WIL-NOV-649f4ed0-4
0.250
SIM-DEM-5935bd74-8
0.250
EDJ-MED-f073a5ff-1
0.250
JAN-GHE-1d98ec1c-3
0.250
GER-UNI-05c7e912-1
0.250
JON-UNI-4b544d07-6
0.250
SAD-SAT-5b1897b2-7
0.250
MAR-TRE-6a44bbf2-33
0.250
WAR-XCH-b72a1bbc-16
0.250
WAR-XCH-b72a1bbc-39
0.250
WAR-XCH-b6889685-53
0.250
MAK-UNK-af83ef51-17
0.247
NIC-BIO-7d400292-3
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MAR-TRE-1c920f6f-95
0.247
JON-UIO-82a15e73-9
0.247
WIL-UNI-1faa9b10-13
0.247
MAR-TRE-92684b97-11
0.246