Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)[C@H](c2ccccc2)C1 |
MW: | 414.06 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 2.78 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-2
DUN-NEW-f8ce3686-22
0.609
MAR-TRE-6a44bbf2-4
0.472
AAR-POS-d2a4d1df-32
0.472
LON-WEI-8f408cad-2
0.472
MAK-UNK-3f402c2b-9
0.455
BEN-DND-76ad4ac9-12
0.430
BEN-DND-76ad4ac9-2
0.413
SAL-INS-1c7a5a55-11
0.402
JOE-SYG-2c9a1216-3
0.375
JOE-SYG-2c9a1216-2
0.367
MAR-TRE-6a44bbf2-21
0.355
MAK-UNK-7c9d1431-9
0.355
BEN-DND-76ad4ac9-8
0.350
MAR-TRE-6a44bbf2-8
0.350
AAR-POS-d2a4d1df-34
0.350
MAK-UNK-6435e6c2-6
0.347
JAG-SYN-9c2cd0bd-13
0.346
JAG-SYN-9c2cd0bd-2
0.342
DAN-LON-a5fc619e-6
0.341
GIA-UNK-7337c2f3-6
0.333
SAL-INS-1ea6d4ee-4
0.330
MED-COV-4280ac29-27
0.330
JAG-SYN-9c2cd0bd-12
0.329
JAG-SYN-9c2cd0bd-1
0.329
BEN-DND-76ad4ac9-11
0.326
MAK-UNK-10dfa458-27
0.325
SAD-SAT-5b1897b2-10
0.325
SAD-SAT-c989feaa-4
0.322
LON-WEI-8f408cad-4
0.321
MAR-TRE-6a44bbf2-18
0.321
AAR-POS-d2a4d1df-23
0.321
MAK-UNK-987948f6-2
0.320
NIM-UNI-05f93fcc-2
0.318
MAK-UNK-7c9d1431-27
0.317
JAG-SYN-9c2cd0bd-11
0.316
DAN-LON-a5fc619e-5
0.315
MAK-UNK-7c9d1431-10
0.313
AHN-SAT-de2502ba-15
0.313
SWA-SYN-6423ea73-4
0.313
SWA-SYN-d2e6fa14-4
0.313
SAL-INS-1ea6d4ee-3
0.313
SAD-SAT-9a6c5cf3-10
0.312
DAN-LON-a5fc619e-9
0.312
SIM-SYN-f15aaa3a-1
0.312
GIA-UNK-20b63697-1
0.310
MAR-TRE-6a44bbf2-28
0.309
MAK-UNK-7c9d1431-23
0.309
MAK-UNK-3f402c2b-11
0.307
GIA-UNK-7337c2f3-4
0.306
MAC-MCD-76766525-1
0.306
GIA-UNK-20b63697-7
0.305
AHN-SAT-de2502ba-7
0.304
MAK-UNK-7c9d1431-24
0.303
GIA-UNK-20b63697-6
0.302
SAD-SAT-bc31ec01-10
0.302
LON-WEI-120e5cf5-5
0.301
STE-KUL-2e0d2e88-4
0.301
ABB-MCD-f8003a30-1
0.298
MAR-TRE-6a44bbf2-32
0.298
MAK-UNK-af83ef51-2
0.298
JAG-SYN-9c2cd0bd-15
0.296
KAY-MCD-d0fe5261-1
0.296
MAR-TRE-6a44bbf2-58
0.296
BEN-DND-76ad4ac9-14
0.295
MAK-UNK-df1a028e-7
0.295
IND-SYN-6c8299e8-2
0.295
GIA-UNK-7337c2f3-5
0.295
SAD-SAT-c989feaa-1
0.295
BEN-DND-76ad4ac9-7
0.294
MAK-UNK-6ca90168-1
0.294
GIA-UNK-7337c2f3-1
0.294
NAU-LAT-64f4b287-1
0.293
THO-SYG-4e0386bb-1
0.293
MAT-POS-fa06b69f-7
0.293
TAT-ENA-80bfd3e5-45
0.293
MAK-UNK-d4768348-5
0.293
GIA-UNK-c4371e97-2
0.293
MAK-UNK-7c9d1431-12
0.293
MAR-TRE-6a44bbf2-92
0.293
SEL-UNI-cd366922-5
0.291
AAR-POS-0daf6b7e-14
0.291
GIA-UNK-20b63697-9
0.290
SAL-INS-1c7a5a55-5
0.290
BEN-DND-362d364a-1
0.290
BEN-DND-76ad4ac9-6
0.289
LON-WEI-120e5cf5-15
0.289
MAR-TRE-6a44bbf2-86
0.289
MAK-UNK-3f402c2b-2
0.289
MIH-UNI-e573136b-15
0.289
MAK-UNK-6ca90168-10
0.287
SAD-SAT-5b1897b2-3
0.287
MAR-TRE-6a44bbf2-65
0.287
MAK-UNK-7c9d1431-11
0.287
GIA-UNK-4de5abb1-1
0.287
TAT-ENA-80bfd3e5-43
0.287
MIH-UNI-e573136b-10
0.286
PEI-IMP-ca0b2813-1
0.286
MAK-UNK-7c9d1431-6
0.286
SAD-SAT-bc31ec01-6
0.286
NIM-UNI-310206f0-24
0.284