Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1O |
MW: | 336.772 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 77.92 |
cLogP: | 0.2158 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-4
BEN-DND-76ad4ac9-6
0.562
MAR-TRE-6a44bbf2-18
0.562
AAR-POS-d2a4d1df-23
0.562
LON-WEI-8f408cad-4
0.562
BEN-DND-03406596-10
0.562
MIK-MCD-8542a490-1
0.557
BEN-DND-03406596-3
0.529
BEN-DND-76ad4ac9-14
0.529
MAK-UNK-3f402c2b-2
0.514
BEN-DND-76ad4ac9-7
0.471
DAN-MCD-50ec7d1f-1
0.471
MAK-UNK-6435e6c2-5
0.455
DAN-MCD-5c762fbe-1
0.429
MAK-UNK-10dfa458-5
0.429
BEN-DND-03ad4429-3
0.429
MAK-UNK-10dfa458-29
0.423
MIK-MCD-9143301b-1
0.419
BEN-DND-03ad4429-1
0.409
IND-SYN-6c8299e8-2
0.408
IND-SYN-6c8299e8-7
0.400
BEN-DND-03ad4429-4
0.400
DRR-IMP-dff87f5e-8
0.397
PEI-IMP-ca0b2813-3
0.390
MAK-UNK-7c9d1431-4
0.390
TAT-ENA-80bfd3e5-25
0.390
BEN-DND-03ad4429-2
0.389
TAT-ENA-80bfd3e5-43
0.382
MAK-UNK-7c9d1431-11
0.382
MAR-TRE-6a44bbf2-65
0.382
BEN-DND-76ad4ac9-4
0.378
JON-MCD-47e58de1-1
0.365
SAL-INS-1ea6d4ee-1
0.364
DRR-IMP-dff87f5e-1
0.361
KAY-MCD-d0fe5261-1
0.361
MAR-TRE-6a44bbf2-58
0.361
MAR-TRE-6a44bbf2-32
0.360
MAK-UNK-7c9d1431-10
0.360
ABB-MCD-f8003a30-1
0.360
MAK-UNK-69bf97dd-1
0.360
MAK-UNK-7c9d1431-9
0.352
MAR-TRE-6a44bbf2-21
0.352
MAR-TRE-6a44bbf2-43
0.351
AHN-SAT-de2502ba-6
0.351
MAK-UNK-7c9d1431-5
0.350
MAR-TRE-6a44bbf2-31
0.350
BEN-DND-03406596-8
0.346
MAR-TRE-6a44bbf2-4
0.338
JAY-UNK-11f5bdbd-1
0.338
LON-WEI-8f408cad-2
0.338
AAR-POS-d2a4d1df-32
0.338
MAK-UNK-7c9d1431-7
0.333
MAR-TRE-6a44bbf2-49
0.333
KEN-MCD-4729dc98-1
0.333
MAK-UNK-902cc841-7
0.333
KAT-UNK-b2a0d5b1-1
0.333
NEH-REV-107bcf72-4
0.333
DRR-IMP-38dce17f-2
0.333
SAD-SAT-9a6c5cf3-6
0.330
MAK-UNK-7c9d1431-19
0.329
MAK-UNK-3f402c2b-9
0.329
MAK-UNK-c74072e5-8
0.329
PEI-IMP-ca0b2813-1
0.329
MAK-UNK-7c9d1431-8
0.329
MAR-TRE-6a44bbf2-26
0.329
ZAC-MCD-b48cf8fd-1
0.327
MAK-UNK-902cc841-8
0.326
SAL-INS-1ea6d4ee-2
0.326
BEN-DND-03406596-6
0.325
BEN-DND-76ad4ac9-10
0.325
BEN-DND-76ad4ac9-12
0.325
BEN-DND-03406596-2
0.325
AHN-SAT-de2502ba-5
0.325
KAY-MCD-59dc2eb3-1
0.324
GIA-UNK-7337c2f3-5
0.321
MAK-UNK-7c9d1431-3
0.321
DRR-IMP-dff87f5e-2
0.321
PEI-IMP-e4a008a2-1
0.321
ABB-MCD-f549d731-1
0.320
BEN-DND-76ad4ac9-2
0.320
MAR-TRE-6a44bbf2-3
0.317
KAI-MCD-cb49037b-1
0.316
DRR-IMP-dff87f5e-4
0.315
MAC-MCD-76766525-1
0.313
KEN-MCD-6084b33e-1
0.312
DRR-IMP-dff87f5e-5
0.312
AAR-POS-d2a4d1df-34
0.312
DRR-IMP-dff87f5e-6
0.312
MAR-TRE-6a44bbf2-8
0.312
AAR-POS-d2a4d1df-44
0.311
SAD-SAT-bc31ec01-5
0.311
DRR-IMP-dff87f5e-3
0.311
GIA-UNK-4de5abb1-4
0.310
MAK-UNK-c74072e5-9
0.308
MAK-MCD-5988fef6-1
0.307
SAD-SAT-9a6c5cf3-10
0.307
MAR-LAB-efb042c5-5
0.307
MAR-TRE-6a44bbf2-68
0.307
PEI-IMP-ca0b2813-2
0.307
DRR-IMP-dff87f5e-7
0.307
AAR-POS-d2a4d1df-27
0.307