Molecular Properties | |
SMILES: | NNC(O)c1cc(Cl)cc(-c2ccc(S(N)(=O)=O)cc2)c1 |
MW: | 327.04 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 118.44 |
cLogP: | 1.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydrazine
non_ring_acetal
het-C-het not in ring
hydrazine
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
acyclic N-,=N and not N bound to carbonyl or sulfone
DAV-CRI-14a23e73-1
JON-UIO-82a15e73-5
0.679
EDJ-MED-8698005e-1
0.571
EDJ-MED-f073a5ff-2
0.554
EDJ-MED-f073a5ff-1
0.537
DAV-CRI-14a23e73-1
0.537
EDJ-MED-f073a5ff-4
0.486
JON-UIO-d28d79fe-6
0.424
EDJ-MED-f073a5ff-3
0.424
JON-UIO-82a15e73-2
0.397
JON-UIO-d28d79fe-5
0.355
JON-UIO-82a15e73-9
0.351
JON-UIO-82a15e73-8
0.349
JON-UIO-d28d79fe-7
0.346
JON-UIO-d28d79fe-4
0.333
WAR-XCH-b72a1bbc-2
0.328
WAR-XCH-b72a1bbc-3
0.322
DAV-CRI-14a23e73-2
0.321
DAV-CRI-14a23e73-4
0.317
JON-UIO-82a15e73-10
0.316
CHR-SOS-7098f804-15
0.289
JON-UIO-82a15e73-7
0.286
AAR-POS-d2a4d1df-15
0.278
JON-UIO-82a15e73-4
0.267
WAR-XCH-b72a1bbc-4
0.265
MAT-POS-7dfc56d9-1
0.262
IND-SYN-5e5c1c3e-2
0.262
IND-SYN-a2b2ab0e-1
0.262
JON-UIO-82a15e73-6
0.260
IND-SYN-a2b2ab0e-2
0.258
IND-SYN-830dcead-1
0.258
IND-SYN-5e5c1c3e-1
0.258
MAR-TRE-6a44bbf2-73
0.254
SAD-SAT-65574d3f-2
0.254
AAR-POS-0daf6b7e-45
0.246
WIL-UNI-1faa9b10-10
0.244
LIZ-THE-6efed59f-3
0.241
RIT-RIT-fdc869b4-1
0.238
MAR-TRE-f5c2d31c-72
0.237
JON-UIO-82a15e73-11
0.236
WIL-UNI-1faa9b10-49
0.236
SAD-SAT-581007d4-10
0.235
SIM-DEM-5935bd74-7
0.234
WAR-XCH-b6889685-23
0.233
WAR-XCH-b72a1bbc-14
0.232
JON-UIO-82a15e73-1
0.229
WIL-UNI-1faa9b10-33
0.229
LIZ-THE-d3ff4653-2
0.229
CHR-SOS-7098f804-19
0.228
LIZ-THE-6efed59f-1
0.226
LIZ-THE-57c545eb-1
0.226
LIZ-THE-d3ff4653-1
0.224
WIL-UNI-1faa9b10-24
0.224
DAR-DIA-3e9bbd81-10
0.223
SAD-SAT-1f400d17-7
0.222
WAR-XCH-b6889685-36
0.220
WAR-XCH-b72a1bbc-46
0.218
WIL-UNI-1faa9b10-15
0.216
SAD-SAT-581007d4-6
0.215
MAK-UNK-ec98eaf6-36
0.215
MAT-POS-b5746674-77
0.214
MAK-UNK-af83ef51-17
0.214
WAR-XCH-b6889685-47
0.214
MAR-TRE-fffca54f-97
0.213
MAR-TRE-87acfbcc-44
0.212
WAR-XCH-b6889685-25
0.212
WIL-UNI-1faa9b10-27
0.212
WAR-XCH-b72a1bbc-1
0.212
LIZ-THE-6efed59f-2
0.212
WIL-UNI-1faa9b10-22
0.212
MAR-TRE-1c920f6f-95
0.211
JOK-SYG-ac99ed27-1
0.211
GER-UNI-05c7e912-1
0.210
SAD-SAT-581007d4-3
0.210
WAR-XCH-b72a1bbc-6
0.208
WAR-XCH-b6889685-32
0.207
WAR-XCH-b6889685-17
0.207
DAV-CRI-14a23e73-5
0.207
WAR-XCH-b6889685-53
0.205
WIL-LEE-1f71e281-7
0.205
SIM-DEM-5935bd74-3
0.205
WAR-XCH-b6889685-64
0.205
WAR-XCH-b6889685-7
0.205
WAR-XCH-b6889685-35
0.205
RAL-THA-6b94ceba-13
0.205
MAT-POS-90fd5f68-11
0.204
RAL-THA-1d44ff04-10
0.204
LOR-NEU-c8f11034-6
0.203
PET-SGC-85e821e4-1
0.203
WAR-XCH-b6889685-45
0.202
WAR-XCH-b72a1bbc-43
0.202
MAR-TRE-f6f5f473-97
0.202
WAR-XCH-b72a1bbc-35
0.202
WAR-XCH-b6889685-49
0.202
STU-CHA-91df9a40-1
0.202
RIT-AID-8d6141ff-1
0.202
MAR-TRE-a3327163-68
0.200
NIR-THE-0d6461ce-5
0.200
WAR-XCH-b6889685-56
0.200
DAV-CRI-de95a6f4-1
0.200
DAV-CRI-f9b12666-1
0.200