Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(-c2ncco2)cc1 |
MW: | 224.241 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 86.19 |
cLogP: | 0.989 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_271570____11771154____15258482 |
Enamine Extended REAL: | s_271570____11771154____15258482 |
MAT-POS-7dfc56d9-1
IND-SYN-a2b2ab0e-1
1.000
WAR-XCH-b72a1bbc-2
0.413
WAR-XCH-b72a1bbc-4
0.396
IND-SYN-5e5c1c3e-1
0.392
IND-SYN-a2b2ab0e-2
0.392
IND-SYN-830dcead-1
0.392
IND-SYN-5e5c1c3e-3
0.356
IND-SYN-a2b2ab0e-3
0.356
WAR-XCH-b72a1bbc-3
0.347
LIZ-THE-6efed59f-1
0.333
AAR-POS-d2a4d1df-15
0.326
LIZ-THE-6efed59f-2
0.308
JON-UIO-82a15e73-5
0.305
LIZ-THE-6efed59f-3
0.304
JON-UIO-d28d79fe-4
0.290
MAR-TRE-87acfbcc-44
0.288
GER-UNI-05c7e912-1
0.284
LIZ-THE-57c545eb-1
0.280
AAR-POS-0daf6b7e-45
0.278
JON-UIO-82a15e73-10
0.275
MAT-POS-7dfc56d9-1
0.275
MAR-TRE-85681e92-100
0.271
WAR-XCH-b72a1bbc-7
0.270
LOR-NEU-c8f11034-6
0.268
CHR-SOS-7098f804-15
0.267
SAD-SAT-1f400d17-7
0.267
MAR-TRE-6a44bbf2-73
0.263
SAD-SAT-65574d3f-2
0.263
JON-UIO-82a15e73-3
0.262
JON-UIO-d28d79fe-6
0.262
GAB-REV-df64cf17-17
0.260
WAR-XCH-b72a1bbc-1
0.259
WAR-XCH-b72a1bbc-14
0.259
WAR-XCH-b72a1bbc-9
0.259
JON-UIO-82a15e73-2
0.258
WAR-XCH-b6889685-15
0.257
WAR-XCH-b72a1bbc-15
0.250
WAR-XCH-b6889685-25
0.250
GAB-REV-70cc3ca5-20
0.246
WAR-XCH-b72a1bbc-17
0.246
EDJ-MED-8698005e-1
0.243
EDJ-MED-f073a5ff-3
0.239
WAR-XCH-b72a1bbc-43
0.236
EDJ-MED-f073a5ff-2
0.236
WAR-XCH-b6889685-56
0.235
NIM-UNI-05f93fcc-9
0.234
WAR-XCH-b72a1bbc-42
0.233
WAR-XCH-b6889685-47
0.233
JON-UIO-d28d79fe-5
0.230
EDJ-MED-f073a5ff-1
0.230
DAV-CRI-14a23e73-1
0.230
MAR-TRE-423310b6-30
0.229
SAD-SAT-89668ff1-5
0.229
MAR-TRE-2fd8122f-78
0.229
WAR-XCH-b6889685-24
0.227
JON-UIO-82a15e73-9
0.227
GAB-REV-70cc3ca5-3
0.227
WAR-XCH-b72a1bbc-41
0.227
WAR-XCH-b6889685-53
0.226
MAR-TRE-f5c2d31c-72
0.225
WAR-XCH-b72a1bbc-18
0.224
JON-UIO-d28d79fe-7
0.224
PED-UNI-292b67d6-1
0.224
JON-UIO-82a15e73-11
0.222
WAR-XCH-b6889685-54
0.222
CHR-SOS-70e4c98a-11
0.221
WAR-XCH-b6889685-46
0.219
WAR-XCH-b72a1bbc-36
0.219
WAR-XCH-b6889685-19
0.219
WAR-XCH-b72a1bbc-11
0.219
WAR-XCH-b72a1bbc-23
0.219
WAR-XCH-b6889685-23
0.219
MAK-UNK-0b1cbb06-4
0.219
WAR-XCH-b72a1bbc-35
0.218
WAR-XCH-b72a1bbc-38
0.218
MAR-TRE-a3327163-68
0.217
SIM-DEM-5935bd74-4
0.217
WAR-XCH-b6889685-4
0.216
PET-SGC-6a1b02a9-1
0.216
WAR-XCH-b6889685-22
0.216
NAU-LAT-42d4957e-6
0.216
WAR-XCH-b72a1bbc-10
0.215
MAR-TRE-2fd8122f-5
0.214
WAR-XCH-b6889685-26
0.214
CHR-SOS-1f323c23-12
0.212
WAR-XCH-b6889685-20
0.212
WAR-XCH-b6889685-50
0.212
ANG-FNM-4baa7e20-1
0.211
EDJ-MED-f073a5ff-4
0.210
JOH-MSK-1fa17de7-1
0.210
WAR-XCH-b72a1bbc-39
0.209
WAR-XCH-b72a1bbc-5
0.209
WAR-XCH-b72a1bbc-6
0.209
WAR-XCH-b72a1bbc-12
0.209
WAR-XCH-b72a1bbc-16
0.209
WAR-XCH-b72a1bbc-48
0.209
WAR-XCH-b6889685-32
0.208
CHR-SOS-1f323c23-9
0.207
LIZ-THE-d3ff4653-1
0.207
AMI-CSI-2ea5bed6-11
0.206