Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1c1nccs1 |
MW: | 403.888 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 70.58 |
cLogP: | 2.0952 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-4
MAC-MCD-4707377b-1
0.557
BEN-DND-03406596-10
0.456
LON-WEI-8f408cad-4
0.456
AAR-POS-d2a4d1df-23
0.456
BEN-DND-76ad4ac9-6
0.456
MAR-TRE-6a44bbf2-18
0.456
MIK-MCD-9143301b-1
0.426
MAK-UNK-3f402c2b-2
0.425
BEN-DND-03406596-3
0.419
BEN-DND-76ad4ac9-14
0.419
DAN-MCD-50ec7d1f-1
0.386
IND-SYN-6c8299e8-7
0.380
BEN-DND-76ad4ac9-7
0.372
MAK-UNK-6435e6c2-5
0.370
MAK-UNK-10dfa458-5
0.353
DAN-MCD-5c762fbe-1
0.353
BEN-DND-03ad4429-3
0.353
MAC-MCD-76766525-1
0.350
MAK-UNK-10dfa458-29
0.349
IND-SYN-6c8299e8-2
0.341
KAY-MCD-59dc2eb3-1
0.339
BEN-DND-03ad4429-4
0.337
MAK-UNK-902cc841-7
0.337
BEN-DND-03ad4429-1
0.333
UNK-UNK-2ede4078-67
0.333
DRR-IMP-dff87f5e-8
0.330
TAT-ENA-80bfd3e5-25
0.326
MAK-UNK-7c9d1431-4
0.326
ABB-MCD-f549d731-1
0.325
KEN-MCD-4729dc98-1
0.324
JON-MCD-47e58de1-1
0.323
BEN-DND-03ad4429-2
0.322
ZAC-MCD-b48cf8fd-1
0.319
MAR-TRE-6a44bbf2-65
0.319
TAT-ENA-80bfd3e5-43
0.319
MAK-UNK-7c9d1431-11
0.319
PEI-IMP-ca0b2813-1
0.318
MAK-UNK-902cc841-8
0.317
MAK-UNK-90d0606b-9
0.313
PEI-IMP-ca0b2813-3
0.312
SAL-INS-1ea6d4ee-1
0.311
MAK-UNK-3e0761f8-8
0.301
MAK-UNK-7c9d1431-10
0.300
MAK-MCD-5988fef6-1
0.300
BEN-DND-76ad4ac9-4
0.300
ABB-MCD-f8003a30-1
0.300
MAR-TRE-6a44bbf2-32
0.300
NIM-UNI-05f93fcc-13
0.299
PEI-IMP-ca0b2813-2
0.299
MAR-TRE-6a44bbf2-58
0.299
KAY-MCD-d0fe5261-1
0.299
DRR-IMP-dff87f5e-1
0.299
JAY-UNK-11f5bdbd-1
0.295
SAL-INS-1ea6d4ee-2
0.292
MAK-UNK-7c9d1431-9
0.291
MAR-TRE-6a44bbf2-21
0.291
NIM-UNI-363644a0-1
0.291
DAN-LON-a5fc619e-5
0.290
MAK-UNK-7c9d1431-8
0.289
MAR-TRE-6a44bbf2-26
0.289
MAK-UNK-3e0761f8-5
0.287
DAN-MCD-0fb4364c-1
0.284
MAT-POS-ee51dedd-2
0.284
LON-WEI-8f408cad-3
0.284
AAR-POS-d2a4d1df-22
0.284
MAR-TRE-6a44bbf2-52
0.284
FOC-CAS-e3a94da8-2
0.283
MAK-UNK-69bf97dd-1
0.283
PEI-IMP-e4a008a2-1
0.283
MIH-UNI-e573136b-2
0.282
DAN-MCD-52f1549c-1
0.282
DAN-MCD-8aee1169-1
0.282
MAK-UNK-7c9d1431-5
0.281
MAR-TRE-6a44bbf2-31
0.281
MAK-UNK-7c9d1431-7
0.281
MAR-TRE-6a44bbf2-49
0.281
MAK-UNK-8fdbca50-40
0.281
MAR-TRE-6a44bbf2-3
0.281
LON-WEI-8f408cad-2
0.281
AAR-POS-d2a4d1df-32
0.281
MAR-TRE-6a44bbf2-4
0.281
BEN-DND-76ad4ac9-1
0.281
AHN-SAT-de2502ba-6
0.280
MAR-TRE-6a44bbf2-43
0.280
KAT-UNK-b2a0d5b1-1
0.280
MAK-UNK-df1a028e-5
0.278
DRR-IMP-38dce17f-2
0.278
MAK-UNK-7c9d1431-19
0.277
MAK-UNK-3f402c2b-9
0.277
BEN-DND-03406596-8
0.277
MAK-UNK-c74072e5-9
0.276
MAK-MCD-2210d2de-1
0.275
MAK-UNK-c74072e5-8
0.275
JOE-SYG-2c9a1216-1
0.275
MAK-UNK-3f402c2b-1
0.274
FOC-CAS-e3a94da8-1
0.274
MAK-UNK-5d2caa6f-1
0.273
SAD-SAT-c989feaa-1
0.272
CHR-MCD-2f2b3cc8-1
0.272
MAK-UNK-5d2caa6f-13
0.271