Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(-c3ccncc3)cc2F)CC1 |
MW: | 351.09 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 2.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
NIM-UNI-310206f0-3
0.661
NIM-UNI-310206f0-4
0.606
NIM-UNI-310206f0-6
0.548
NIM-UNI-310206f0-5
0.521
NIM-UNI-310206f0-2
0.514
NIM-UNI-310206f0-42
0.512
NIM-UNI-310206f0-22
0.506
NIM-UNI-310206f0-7
0.493
NIM-UNI-310206f0-8
0.479
NIM-UNI-310206f0-20
0.468
NIM-UNI-310206f0-29
0.467
NIM-UNI-310206f0-46
0.464
NIM-UNI-310206f0-9
0.461
NIM-UNI-310206f0-23
0.456
NIM-UNI-310206f0-12
0.456
NIM-UNI-310206f0-25
0.455
NIM-UNI-310206f0-27
0.453
NIM-UNI-310206f0-36
0.450
NIM-UNI-310206f0-43
0.447
NIM-UNI-310206f0-11
0.446
NIM-UNI-310206f0-13
0.444
NIM-UNI-310206f0-32
0.444
DRR-IMP-38dce17f-6
0.438
NIM-UNI-310206f0-37
0.438
NIM-UNI-310206f0-26
0.436
NIM-UNI-310206f0-44
0.435
NIM-UNI-310206f0-24
0.435
NIM-UNI-310206f0-14
0.435
NIM-UNI-310206f0-28
0.432
NIM-UNI-310206f0-15
0.430
NIM-UNI-310206f0-50
0.429
NIM-UNI-310206f0-18
0.424
NIM-UNI-310206f0-10
0.424
NIM-UNI-310206f0-38
0.424
NIM-UNI-310206f0-54
0.422
NIM-UNI-310206f0-21
0.419
NIM-UNI-310206f0-51
0.419
NIM-UNI-310206f0-17
0.418
NIM-UNI-310206f0-63
0.417
NIM-UNI-310206f0-45
0.412
NIM-UNI-310206f0-48
0.412
PEI-IMP-ca0b2813-2
0.412
SAD-SAT-5b1897b2-10
0.409
NIM-UNI-310206f0-41
0.409
NIM-UNI-310206f0-39
0.409
VIK-SYN-9a3d118a-4
0.406
VIK-SYN-bf9c9ac8-7
0.406
MAR-TRE-6a44bbf2-87
0.406
MAT-POS-162a9720-4
0.400
NIM-UNI-310206f0-16
0.396
NIM-UNI-310206f0-19
0.396
NIM-UNI-310206f0-40
0.396
NIM-UNI-310206f0-34
0.393
NIM-UNI-310206f0-35
0.389
NIM-UNI-310206f0-57
0.387
NIM-UNI-310206f0-65
0.386
NIM-UNI-310206f0-69
0.385
NIM-UNI-310206f0-47
0.383
NIM-UNI-310206f0-62
0.382
SAD-SAT-5b1897b2-1
0.382
SAD-SAT-5b1897b2-3
0.382
NIM-UNI-310206f0-49
0.381
NIM-UNI-310206f0-55
0.379
SAD-SAT-5b1897b2-5
0.378
DRR-IMP-38dce17f-4
0.371
NIM-UNI-310206f0-60
0.371
NIM-UNI-310206f0-31
0.367
SAD-SAT-5b1897b2-8
0.366
AHN-SAT-de2502ba-3
0.365
NIM-UNI-310206f0-61
0.363
SAD-SAT-65574d3f-9
0.362
NIM-UNI-310206f0-33
0.360
NIM-UNI-310206f0-64
0.359
DRR-IMP-38dce17f-5
0.357
SAD-SAT-5b1897b2-4
0.357
NIM-UNI-310206f0-53
0.356
NIM-UNI-310206f0-58
0.356
NIM-UNI-310206f0-66
0.356
JOO-PER-58e158bd-1
0.354
NIM-UNI-310206f0-56
0.353
NIM-UNI-310206f0-52
0.352
MAK-UNK-7c9d1431-10
0.351
NIL-NON-a189c016-1
0.351
MAT-POS-162a9720-2
0.351
NIM-UNI-310206f0-59
0.349
SAD-SAT-581007d4-1
0.347
MAR-TRE-6a44bbf2-41
0.347
IAN-BAS-44680fdf-1
0.345
MAK-UNK-212f693e-8
0.343
AAR-POS-0daf6b7e-18
0.343
LON-WEI-8f408cad-7
0.343
AAR-POS-0daf6b7e-13
0.343
NIM-UNI-310206f0-30
0.343
DRR-IMP-38dce17f-2
0.342
STE-KUL-2e0d2e88-3
0.342
SAD-SAT-1b030f84-9
0.340
MAK-UNK-7c9d1431-29
0.338
MAT-POS-162a9720-5
0.338
AAR-POS-d2a4d1df-28
0.338
ABB-MCD-f8003a30-1
0.333