Molecular Properties | |
SMILES: | CNN[C@H](C)c1cc(N)cc(-c2ccc(S(N)(=O)=O)cc2)c1 |
MW: | 320.13 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 110.24 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydrazine
aniline
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
aniline
acyclic N-,=N and not N bound to carbonyl or sulfone
Hetero_hetero
hydrazine
analine
DAV-CRI-14a23e73-1
EDJ-MED-8698005e-1
0.449
JON-UIO-d28d79fe-5
0.444
EDJ-MED-f073a5ff-2
0.437
DAV-CRI-14a23e73-1
0.425
EDJ-MED-f073a5ff-1
0.425
JON-UIO-82a15e73-5
0.406
JON-UIO-82a15e73-3
0.397
EDJ-MED-f073a5ff-4
0.388
JON-UIO-d28d79fe-6
0.377
JON-UIO-d28d79fe-7
0.359
EDJ-MED-f073a5ff-3
0.356
JON-UIO-82a15e73-9
0.346
WAR-XCH-b72a1bbc-3
0.339
WAR-XCH-b72a1bbc-2
0.322
JON-UIO-82a15e73-10
0.312
JON-UIO-d28d79fe-4
0.310
JON-UIO-82a15e73-1
0.287
IND-SYN-830dcead-1
0.273
IND-SYN-5e5c1c3e-1
0.273
IND-SYN-a2b2ab0e-2
0.273
WAR-XCH-b6889685-47
0.272
WAR-XCH-b6889685-23
0.264
WAR-XCH-b72a1bbc-4
0.261
JON-UIO-82a15e73-12
0.259
LIZ-THE-6efed59f-3
0.259
MAT-POS-7dfc56d9-1
0.258
IND-SYN-5e5c1c3e-2
0.258
IND-SYN-a2b2ab0e-1
0.258
DAV-CRI-14a23e73-2
0.256
WAR-XCH-b6889685-48
0.253
DAV-CRI-14a23e73-4
0.253
AAR-POS-d2a4d1df-15
0.250
JON-UIO-82a15e73-11
0.250
JON-UIO-82a15e73-7
0.247
LIZ-THE-6efed59f-2
0.246
AAR-POS-0daf6b7e-45
0.242
LIZ-THE-6efed59f-1
0.242
LIZ-THE-57c545eb-1
0.242
WAR-XCH-b6889685-49
0.241
JON-UIO-82a15e73-6
0.241
WAR-XCH-b6889685-53
0.236
MAR-TRE-f5c2d31c-72
0.235
JON-UIO-d28d79fe-8
0.235
JON-UIO-82a15e73-4
0.231
SIM-DEM-5935bd74-7
0.231
JON-UIO-82a15e73-8
0.229
WIL-UNI-1faa9b10-15
0.227
JON-UIO-066ce08b-13
0.227
LIZ-THE-d3ff4653-2
0.225
WAR-XCH-b6889685-25
0.225
MAK-UNK-af83ef51-17
0.224
RIT-RIT-fdc869b4-1
0.223
VIJ-CYC-1a381570-11
0.222
JON-UIO-d28d79fe-2
0.222
GER-UNI-05c7e912-1
0.222
WIL-UNI-1faa9b10-24
0.221
WAR-XCH-b72a1bbc-48
0.221
LIZ-THE-d3ff4653-1
0.221
SAD-SAT-1f400d17-4
0.220
WAR-XCH-b6889685-62
0.220
LOR-NEU-c8f11034-6
0.217
WAR-XCH-b6889685-64
0.217
WAR-XCH-b6889685-54
0.216
WAR-XCH-b6889685-35
0.216
MAR-TRE-6a44bbf2-73
0.214
WAR-XCH-b72a1bbc-43
0.214
SAD-SAT-65574d3f-2
0.214
CHR-SOS-7098f804-15
0.213
WAR-XCH-b6889685-56
0.212
MAT-POS-b5746674-77
0.212
WAR-XCH-b72a1bbc-9
0.211
WAR-XCH-b6889685-57
0.210
WAR-XCH-b72a1bbc-1
0.209
JOK-SYG-ac99ed27-1
0.209
DAV-CRI-f9b12666-1
0.208
JOH-IMS-54aa76a2-5
0.207
WAR-XCH-b6889685-59
0.207
WAR-XCH-b72a1bbc-17
0.207
GAB-REV-df64cf17-17
0.207
WIL-UNI-1faa9b10-49
0.207
VIJ-CYC-1a381570-6
0.206
WAR-XCH-b72a1bbc-39
0.205
VIJ-CYC-1a381570-5
0.205
JAN-GHE-1d98ec1c-10
0.205
SAD-SAT-1f400d17-7
0.203
WIL-LEE-23e8b574-7
0.203
SIM-DEM-5935bd74-2
0.203
WAR-XCH-b6889685-15
0.202
AAR-POS-d2a4d1df-4
0.200
WAR-XCH-b6889685-58
0.200
IND-SYN-8f867502-2
0.200
WAR-XCH-b6889685-27
0.198
MAR-TRE-a3327163-68
0.198
SIM-DEM-5935bd74-4
0.198
WAR-XCH-b72a1bbc-11
0.197
IND-SYN-8f867502-3
0.197
WAR-XCH-b72a1bbc-23
0.197
IND-SYN-058869ff-1
0.197
JOH-IMS-54aa76a2-4
0.197
MAK-UNK-53da93bf-5
0.197