Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(-c3cncnc3)cc2F)CC1 |
MW: | 352.09 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 2.31 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
NIM-UNI-310206f0-4
0.667
NIM-UNI-310206f0-1
0.661
NIM-UNI-310206f0-6
0.557
NIM-UNI-310206f0-20
0.554
NIM-UNI-310206f0-36
0.554
NIM-UNI-310206f0-2
0.521
NIM-UNI-310206f0-7
0.500
NIM-UNI-310206f0-5
0.486
NIM-UNI-310206f0-8
0.486
NIM-UNI-310206f0-39
0.461
NIM-UNI-310206f0-29
0.453
NIM-UNI-310206f0-9
0.447
NIM-UNI-310206f0-12
0.443
NIM-UNI-310206f0-23
0.443
NIM-UNI-310206f0-26
0.442
NIM-UNI-310206f0-25
0.442
NIM-UNI-310206f0-15
0.435
NIM-UNI-310206f0-43
0.435
NIM-UNI-310206f0-46
0.435
NIM-UNI-310206f0-13
0.432
NIM-UNI-310206f0-32
0.432
NIM-UNI-310206f0-18
0.429
NIM-UNI-310206f0-27
0.425
NIM-UNI-310206f0-37
0.425
NIM-UNI-310206f0-22
0.424
NIM-UNI-310206f0-44
0.424
NIM-UNI-310206f0-63
0.422
NIM-UNI-310206f0-28
0.420
NIM-UNI-310206f0-11
0.417
NIM-UNI-310206f0-42
0.414
NIM-UNI-310206f0-10
0.412
NIM-UNI-310206f0-14
0.407
NIM-UNI-310206f0-51
0.407
NIM-UNI-310206f0-24
0.407
MAT-POS-162a9720-4
0.406
NIM-UNI-310206f0-16
0.400
NIM-UNI-310206f0-40
0.400
NIM-UNI-310206f0-45
0.400
NIM-UNI-310206f0-48
0.400
NIM-UNI-310206f0-34
0.398
NIM-UNI-310206f0-41
0.398
NIM-UNI-310206f0-67
0.397
NIM-UNI-310206f0-38
0.395
SAD-SAT-5b1897b2-10
0.394
NIM-UNI-310206f0-57
0.391
VIK-SYN-bf9c9ac8-7
0.391
VIK-SYN-9a3d118a-4
0.391
MAR-TRE-6a44bbf2-87
0.391
SAD-SAT-5b1897b2-1
0.388
NIM-UNI-310206f0-19
0.385
NIM-UNI-310206f0-21
0.379
NIM-UNI-310206f0-17
0.376
NIM-UNI-310206f0-65
0.376
NIM-UNI-310206f0-62
0.373
NIM-UNI-310206f0-47
0.372
SAD-SAT-5b1897b2-8
0.371
NIM-UNI-310206f0-49
0.371
NIM-UNI-310206f0-55
0.368
NIM-UNI-310206f0-61
0.366
NIM-UNI-310206f0-54
0.366
NIM-UNI-310206f0-50
0.363
NIM-UNI-310206f0-60
0.361
NIM-UNI-310206f0-31
0.357
DRR-IMP-38dce17f-4
0.357
NIM-UNI-310206f0-56
0.356
NIM-UNI-310206f0-59
0.352
MAR-TRE-6a44bbf2-41
0.351
MAR-TRE-6a44bbf2-47
0.351
AHN-SAT-de2502ba-3
0.351
NIM-UNI-310206f0-35
0.351
NIM-UNI-310206f0-33
0.350
NIM-UNI-310206f0-64
0.350
SAD-SAT-65574d3f-9
0.348
SAD-SAT-5b1897b2-3
0.348
SAD-SAT-5b1897b2-5
0.347
NIM-UNI-310206f0-58
0.347
NIM-UNI-310206f0-53
0.347
SAD-SAT-1b030f84-9
0.346
NIM-UNI-310206f0-52
0.343
SAD-SAT-5b1897b2-4
0.343
DRR-IMP-db50bf6e-1
0.338
DRR-IMP-38dce17f-6
0.338
MAK-UNK-7c9d1431-10
0.338
MAT-POS-162a9720-2
0.338
NIL-NON-a189c016-1
0.338
NIM-UNI-310206f0-66
0.333
SAD-SAT-581007d4-1
0.333
DAR-DIA-fb20be43-1
0.329
DRR-IMP-38dce17f-2
0.329
AAR-POS-0daf6b7e-18
0.329
JOO-PER-58e158bd-1
0.325
HYO-UNK-50298ba0-1
0.325
VIK-SYN-bf9c9ac8-6
0.324
VIK-SYN-9a3d118a-2
0.324
AAR-POS-d2a4d1df-28
0.324
MAT-POS-162a9720-5
0.324
MAK-UNK-7c9d1431-29
0.324
MAK-UNK-849bee6c-7
0.321
NIM-UNI-310206f0-30
0.321
MAR-TRE-6a44bbf2-32
0.320