Molecular Properties | |
SMILES: | NCC(NC(=O)CF)c1cc(F)cc(-c2ccc(S(N)(=O)=O)cc2)c1 |
MW: | 369.1 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 115.28 |
cLogP: | 1.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
monofluoroacetate
DAV-CRI-14a23e73-1
JON-UIO-d28d79fe-5
0.638
JON-UIO-d28d79fe-7
0.620
JON-UIO-d28d79fe-6
0.529
JON-UIO-82a15e73-10
0.486
JON-UIO-d28d79fe-4
0.437
JON-UIO-82a15e73-12
0.423
EDJ-MED-8698005e-1
0.380
DAV-CRI-14a23e73-1
0.378
JON-UIO-82a15e73-5
0.356
EDJ-MED-f073a5ff-2
0.354
JON-UIO-82a15e73-3
0.351
JON-UIO-82a15e73-2
0.346
EDJ-MED-f073a5ff-1
0.345
EDJ-MED-f073a5ff-4
0.333
JON-UIO-82a15e73-11
0.320
JON-UIO-d28d79fe-8
0.313
EDJ-MED-f073a5ff-3
0.297
JON-UIO-066ce08b-13
0.295
WAR-XCH-b72a1bbc-2
0.279
JON-UIO-d28d79fe-2
0.276
WAR-XCH-b72a1bbc-3
0.275
WIL-UNI-1faa9b10-6
0.270
JON-UIO-82a15e73-1
0.258
WIL-UNI-1faa9b10-15
0.258
SAD-SAT-1f400d17-7
0.256
WIL-UNI-1faa9b10-22
0.256
MAR-TRE-6a44bbf2-73
0.253
SAD-SAT-65574d3f-2
0.253
WIL-UNI-1faa9b10-24
0.253
WAR-XCH-b72a1bbc-47
0.250
LIZ-THE-d3ff4653-2
0.247
AAR-POS-0daf6b7e-45
0.247
MAT-POS-7dfc56d9-1
0.243
WAR-XCH-b72a1bbc-39
0.241
IND-SYN-5e5c1c3e-1
0.240
IND-SYN-a2b2ab0e-2
0.240
IND-SYN-830dcead-1
0.240
MAR-TRE-1c920f6f-95
0.240
WIL-UNI-1faa9b10-49
0.237
MAR-TRE-1c920f6f-19
0.235
MAR-TRE-14ce9fd6-7
0.235
JON-UIO-82a15e73-7
0.235
WIL-UNI-1faa9b10-11
0.234
WAR-XCH-b72a1bbc-14
0.234
CHR-SOS-7098f804-15
0.232
DAV-CRI-14a23e73-2
0.232
WIL-UNI-1faa9b10-42
0.231
MAR-TRE-14ce9fd6-6
0.231
WAR-XCH-b6889685-57
0.230
JON-UIO-82a15e73-6
0.230
DAV-CRI-14a23e73-4
0.229
MAK-UNK-af83ef51-17
0.229
WAR-XCH-b6889685-48
0.228
WAR-XCH-b6889685-8
0.227
IND-SYN-5e5c1c3e-2
0.227
IND-SYN-a2b2ab0e-1
0.227
LIZ-THE-d3ff4653-1
0.227
WAR-XCH-b72a1bbc-48
0.226
WAR-XCH-b6889685-18
0.226
MAR-LAB-ca4662a6-4
0.225
MAR-TRE-f5c2d31c-72
0.225
WAR-XCH-b72a1bbc-44
0.222
DAV-CRI-f9b12666-1
0.222
JON-UIO-82a15e73-4
0.221
WAR-XCH-b72a1bbc-43
0.220
WAR-XCH-b6889685-23
0.220
MAR-TRE-a3327163-68
0.218
WIL-UNI-1faa9b10-10
0.217
LIZ-THE-6efed59f-2
0.216
WAR-XCH-b6889685-26
0.216
WIL-UNI-1faa9b10-27
0.216
WAR-XCH-b72a1bbc-26
0.216
AAR-POS-d2a4d1df-15
0.215
WAR-XCH-b72a1bbc-4
0.215
DAR-DIA-fb20be43-12
0.214
JOK-SYG-ac99ed27-1
0.214
GER-UNI-05c7e912-1
0.213
ANG-FNM-4baa7e20-1
0.213
GAB-REV-70cc3ca5-20
0.213
WAR-XCH-b72a1bbc-41
0.213
WIL-UNI-1faa9b10-13
0.213
WIL-UNI-1faa9b10-16
0.213
GAB-REV-70cc3ca5-3
0.213
DAN-MCD-50ec7d1f-1
0.212
LIZ-THE-57c545eb-1
0.211
WAR-XCH-b72a1bbc-33
0.211
SAD-SAT-89668ff1-4
0.211
WAR-XCH-b6889685-37
0.210
MAK-UNK-1cb0e944-9
0.210
MAR-TRE-6a44bbf2-90
0.210
DAV-CRI-3edb475e-6
0.210
WAR-XCH-b72a1bbc-20
0.209
WIL-LEE-23e8b574-7
0.209
SAD-SAT-89668ff1-2
0.208
WAR-XCH-b72a1bbc-24
0.208
WAR-XCH-b72a1bbc-19
0.207
WAR-XCH-b72a1bbc-36
0.207
WAR-XCH-b72a1bbc-37
0.207
MAR-TRE-66ac689e-68
0.207
WAR-XCH-b72a1bbc-38
0.206