Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 |
MW: | 306.07 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 23.55 |
cLogP: | 2.59 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-04-16 |
high halogen content (>3)
MAT-POS-162a9720-2
1.000
SAD-SAT-5b1897b2-4
0.625
SAD-SAT-65574d3f-9
0.607
MAT-POS-162a9720-4
0.500
UNK-UNK-2ede4078-24
0.500
IND-SYN-6c8299e8-2
0.485
AAR-POS-0daf6b7e-18
0.475
ERI-UCB-a0b0dbcb-4
0.468
GIA-UNK-7337c2f3-13
0.458
MAT-POS-162a9720-5
0.444
LAV-MCD-880a620a-1
0.438
MED-COV-4280ac29-29
0.426
NIM-UNI-310206f0-6
0.415
SAD-SAT-5b1897b2-10
0.413
GIA-UNK-7337c2f3-12
0.403
DRR-IMP-dff87f5e-6
0.397
AAR-POS-d2a4d1df-24
0.388
VIK-SYN-bf9c9ac8-7
0.387
VIK-SYN-9a3d118a-4
0.387
MAR-TRE-6a44bbf2-87
0.387
SAD-SAT-5b1897b2-3
0.385
NIM-UNI-310206f0-7
0.375
MED-COV-4280ac29-38
0.368
UNK-UNK-2ede4078-76
0.368
SAD-SAT-1b030f84-9
0.367
NIM-UNI-05f93fcc-10
0.367
MAR-TRE-6a44bbf2-41
0.366
DRR-IMP-dff87f5e-4
0.364
AHN-SAT-02ef6d10-3
0.364
BRU-UNI-248b30bc-29
0.364
BEN-DND-03406596-10
0.362
LON-WEI-8f408cad-4
0.362
DRR-IMP-38dce17f-2
0.362
MAR-TRE-6a44bbf2-18
0.362
AAR-POS-d2a4d1df-23
0.362
NIR-THE-0d6461ce-1
0.361
MED-COV-4280ac29-23
0.360
MAK-UNK-6ca90168-15
0.358
VIK-SYN-9a3d118a-2
0.357
AAR-POS-d2a4d1df-28
0.357
PAU-WEI-b9b69149-2
0.357
BEN-DND-76ad4ac9-8
0.357
VIK-SYN-bf9c9ac8-6
0.357
AAR-POS-d2a4d1df-25
0.354
SIM-SYN-f15aaa3a-1
0.354
AHN-SAT-de2502ba-8
0.354
NIM-UNI-310206f0-12
0.354
JOH-UNI-0e1753c1-3
0.353
HYO-UNK-49a60884-1
0.353
AAR-POS-d2a4d1df-35
0.353
MED-COV-4280ac29-15
0.353
AHN-SAT-de2502ba-15
0.352
AAR-POS-0daf6b7e-21
0.352
NIM-UNI-310206f0-1
0.351
NIM-UNI-310206f0-26
0.350
YOI-UNK-090ea88a-1
0.350
MED-COV-4280ac29-6
0.348
AAR-POS-d2a4d1df-32
0.348
SAD-SAT-581007d4-1
0.348
SAD-SAT-5b1897b2-8
0.348
MAR-TRE-6a44bbf2-4
0.348
JIA-UNI-93b03cae-1
0.348
LON-WEI-8f408cad-2
0.348
JOK-SYG-18591e8f-1
0.347
MAK-UNK-af83ef51-6
0.347
AHN-SAT-de2502ba-3
0.347
GIA-UNK-7337c2f3-8
0.347
MIH-UNI-e573136b-7
0.346
MAK-UNK-704ed37c-11
0.345
NIM-UNI-310206f0-32
0.345
NIM-UNI-310206f0-10
0.345
MAK-UNK-704ed37c-12
0.345
MAK-UNK-987948f6-2
0.344
MAK-UNK-7c9d1431-24
0.344
DRR-IMP-38dce17f-3
0.344
AHN-SAT-de2502ba-7
0.343
SAD-SAT-5b1897b2-1
0.343
DRR-IMP-38dce17f-1
0.343
MAK-UNK-6ca90168-10
0.343
GIA-UNK-7337c2f3-7
0.342
MAR-TRE-6a44bbf2-3
0.342
SAD-SAT-29425be4-20
0.342
NIM-UNI-310206f0-29
0.342
MAR-TRE-a9136c7b-76
0.341
MAR-TRE-d0525fbf-84
0.341
AAR-POS-0daf6b7e-17
0.338
MAK-UNK-7c9d1431-28
0.338
LON-WEI-8f408cad-5
0.338
ASH-SAT-43770c7d-10
0.338
JOH-UNI-27ac80fd-30
0.338
MAK-UNK-7c9d1431-11
0.338
NIM-UNI-310206f0-3
0.338
GIA-UNK-4de5abb1-1
0.338
MAR-TRE-6a44bbf2-65
0.338
TAT-ENA-80bfd3e5-43
0.338
MED-COV-4280ac29-7
0.338
NIM-UNI-310206f0-23
0.337
NIM-UNI-310206f0-15
0.337
DRR-IMP-db50bf6e-1
0.333
DRR-IMP-dff87f5e-8
0.333