Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)c2ccncc21 |
MW: | 387.03 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 70.58 |
cLogP: | 2.14 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-2
MAK-MCD-5988fef6-1
0.447
AAR-POS-d2a4d1df-32
0.390
LON-WEI-8f408cad-2
0.390
MAR-TRE-6a44bbf2-4
0.390
BEN-DND-76ad4ac9-2
0.372
MAK-MCD-586a6efd-1
0.368
JOE-SYG-2c9a1216-1
0.367
BEN-DND-76ad4ac9-12
0.357
BEN-DND-03406596-2
0.357
MAK-UNK-3f402c2b-9
0.345
JOE-SYG-2c9a1216-3
0.341
JAG-SYN-9c2cd0bd-11
0.329
JAG-SYN-9c2cd0bd-13
0.325
JAG-SYN-9c2cd0bd-15
0.325
MAK-UNK-6435e6c2-6
0.308
SAM-UNK-2684b532-14
0.304
JAG-SYN-9c2cd0bd-10
0.298
JAG-SYN-9c2cd0bd-12
0.294
JAG-SYN-9c2cd0bd-1
0.293
JAG-SYN-9c2cd0bd-2
0.289
MAK-UNK-10dfa458-27
0.289
SWA-SYN-6423ea73-4
0.284
SWA-SYN-d2e6fa14-4
0.284
PEI-IMP-ca0b2813-1
0.282
DRR-IMP-38dce17f-4
0.277
NIM-UNI-310206f0-67
0.277
TIM-UNK-6bd61028-2
0.274
NIM-UNI-05f93fcc-6
0.271
NIM-UNI-310206f0-69
0.269
MAR-TRE-6a44bbf2-8
0.267
DRR-IMP-dff87f5e-5
0.267
AAR-POS-d2a4d1df-34
0.267
PEI-IMP-ca0b2813-2
0.262
MAK-MCD-2210d2de-1
0.261
STE-KUL-2e0d2e88-3
0.261
MAK-UNK-8fdbca50-16
0.258
NIM-UNI-05f93fcc-9
0.258
SAD-SAT-5b1897b2-10
0.256
AAR-POS-d2a4d1df-23
0.256
BEN-DND-03406596-10
0.256
LON-WEI-8f408cad-4
0.256
MAR-TRE-6a44bbf2-18
0.256
SAD-SAT-5b1897b2-7
0.256
MAR-TRE-6a44bbf2-33
0.256
DRR-IMP-dff87f5e-4
0.253
BEN-DND-76ad4ac9-8
0.253
MIC-UNK-e8a42ca9-2
0.252
NAU-LAT-64f4b287-1
0.250
BEN-DND-76ad4ac9-11
0.250
BEN-DND-03406596-9
0.250
MAK-UNK-7c9d1431-10
0.250
AHN-SAT-de2502ba-15
0.250
NIM-UNI-310206f0-28
0.248
SAD-SAT-bc31ec01-10
0.248
MAK-UNK-8fdbca50-18
0.246
MIC-UNK-e8a42ca9-1
0.245
IAN-BAS-44680fdf-1
0.245
MAK-UNK-902cc841-9
0.245
PEI-IMP-ca0b2813-4
0.245
NIR-THE-b7e8e081-2
0.245
BEN-DND-6de5dfa0-16
0.245
DRR-IMP-38dce17f-6
0.244
NIM-UNI-310206f0-46
0.243
SAD-SAT-9a6c5cf3-10
0.242
MAK-UNK-8fdbca50-36
0.242
MAK-UNK-8fdbca50-21
0.242
MAK-UNK-7c9d1431-26
0.242
MAR-TRE-6a44bbf2-22
0.242
AHN-SAT-de2502ba-11
0.242
MAK-UNK-7c9d1431-11
0.242
MAR-TRE-6a44bbf2-65
0.242
TAT-ENA-80bfd3e5-43
0.242
DRR-IMP-38dce17f-2
0.241
BEN-DND-76ad4ac9-6
0.241
SAD-SAT-f2e2579e-1
0.241
MAK-UNK-902cc841-10
0.240
MAK-UNK-8fdbca50-31
0.240
MAK-UNK-8fdbca50-3
0.240
NIM-UNI-05f93fcc-3
0.240
NIM-UNI-310206f0-1
0.239
LON-WEI-120e5cf5-11
0.239
NIM-UNI-310206f0-27
0.239
NIM-UNI-310206f0-62
0.238
NEH-REV-107bcf72-1
0.238
PET-SGC-2e937068-1
0.237
MAK-UNK-7c9d1431-4
0.237
BEN-DND-76ad4ac9-14
0.237
BEN-DND-03406596-3
0.237
PEI-IMP-ca0b2813-3
0.237
IND-SYN-6c8299e8-2
0.237
TAT-ENA-80bfd3e5-25
0.237
MAR-TRE-6a44bbf2-46
0.237
MAK-UNK-8fdbca50-17
0.236
MAK-UNK-702fb7d3-5
0.236
MAR-TRE-6a44bbf2-32
0.236
ABB-MCD-f8003a30-1
0.236
DRR-IMP-dff87f5e-8
0.236
MIK-MCD-8542a490-1
0.236
ALP-POS-cd485364-2
0.235
MAK-UNK-8fdbca50-6
0.235