Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(OCC3CCOCC3)s2)CC1 |
MW: | 422.07 |
Fraction sp3: | 0.69 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 76.15 |
cLogP: | 1.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MED-COV-4280ac29-15
AAR-POS-0daf6b7e-15
0.500
NIM-UNI-05f93fcc-1
0.493
NIM-UNI-05f93fcc-11
0.475
NIM-UNI-05f93fcc-9
0.459
NIM-UNI-05f93fcc-13
0.458
NIM-UNI-05f93fcc-7
0.452
NIM-UNI-05f93fcc-2
0.451
NIM-UNI-310206f0-68
0.448
NIM-UNI-05f93fcc-17
0.447
NIM-UNI-310206f0-9
0.447
NIM-UNI-310206f0-71
0.447
SAD-SAT-f2e2579e-3
0.447
NIM-UNI-310206f0-69
0.446
NIM-UNI-05f93fcc-14
0.446
NIM-UNI-05f93fcc-15
0.442
NIM-UNI-05f93fcc-3
0.440
AAR-POS-d2a4d1df-22
0.440
LON-WEI-8f408cad-3
0.440
MAR-TRE-6a44bbf2-52
0.440
NIM-UNI-05f93fcc-12
0.436
NIM-UNI-310206f0-67
0.435
NIM-UNI-05f93fcc-6
0.425
NIM-UNI-05f93fcc-10
0.425
NIM-UNI-05f93fcc-5
0.419
DRR-IMP-dff87f5e-4
0.413
MAK-UNK-e05327b2-8
0.404
SAD-SAT-3a925b8b-2
0.403
MAR-TRE-6a44bbf2-4
0.397
AAR-POS-d2a4d1df-32
0.397
SAD-SAT-3a925b8b-3
0.397
LON-WEI-8f408cad-2
0.397
RHE-UNK-eb059eb9-1
0.395
AAR-POS-0daf6b7e-3
0.395
MAR-TRE-6a44bbf2-13
0.395
WAR-XCH-79d12f6e-6
0.395
MAK-UNK-69bf97dd-3
0.394
SAD-SAT-f2e2579e-9
0.394
NIM-UNI-05f93fcc-8
0.388
MAR-TRE-6a44bbf2-8
0.388
AAR-POS-d2a4d1df-34
0.388
MAK-UNK-c74072e5-8
0.388
DRR-IMP-dff87f5e-5
0.388
NIM-UNI-05f93fcc-16
0.385
AAR-POS-d2a4d1df-27
0.385
MAT-POS-ee51dedd-2
0.385
MAR-TRE-6a44bbf2-68
0.385
MAR-LAB-efb042c5-5
0.385
BEN-DND-03406596-5
0.381
BEN-DND-76ad4ac9-13
0.381
DRR-IMP-db50bf6e-4
0.381
MAK-UNK-7c9d1431-12
0.380
NIM-UNI-05f93fcc-4
0.379
AAR-POS-d2a4d1df-36
0.378
MAR-TRE-6a44bbf2-21
0.377
MAK-UNK-7c9d1431-9
0.377
LON-WEI-8f408cad-4
0.375
AAR-POS-d2a4d1df-23
0.375
BEN-DND-03406596-10
0.375
MAR-TRE-6a44bbf2-18
0.375
MAK-UNK-7c9d1431-22
0.373
DRR-IMP-dff87f5e-3
0.372
AAR-POS-d2a4d1df-44
0.372
MAK-UNK-7c9d1431-17
0.370
DRR-IMP-dff87f5e-9
0.370
PEI-IMP-ca0b2813-1
0.370
MAR-TRE-6a44bbf2-7
0.369
AAR-POS-d2a4d1df-37
0.369
TAT-ENA-80bfd3e5-43
0.369
MAR-TRE-6a44bbf2-65
0.369
MAK-UNK-7c9d1431-11
0.369
MAK-UNK-7c9d1431-19
0.369
MAK-UNK-c74072e5-6
0.369
KAY-MCD-d0fe5261-1
0.367
PEI-IMP-ca0b2813-2
0.367
DRR-IMP-db50bf6e-5
0.367
DRR-IMP-dff87f5e-1
0.367
DRR-IMP-dff87f5e-7
0.367
MAR-TRE-6a44bbf2-58
0.367
DRR-IMP-dff87f5e-8
0.366
MAK-UNK-7c9d1431-13
0.362
MAR-TRE-6a44bbf2-78
0.362
JAY-UNK-11f5bdbd-1
0.362
PEI-IMP-ca0b2813-3
0.360
MAK-UNK-7c9d1431-4
0.360
TAT-ENA-80bfd3e5-25
0.360
MAR-TRE-6a44bbf2-36
0.360
MAK-UNK-7c9d1431-2
0.360
MAR-TRE-6a44bbf2-24
0.358
KAT-UNK-b2a0d5b1-1
0.357
MAK-UNK-7c9d1431-30
0.356
MAK-UNK-7c9d1431-5
0.356
MAR-TRE-6a44bbf2-49
0.356
MAR-TRE-6a44bbf2-31
0.356
MAK-UNK-7c9d1431-7
0.356
MAR-TRE-6a44bbf2-45
0.356
SAD-SAT-bc31ec01-5
0.354
SAD-SAT-f2e2579e-8
0.354
MAR-TRE-6a44bbf2-26
0.354
MAK-UNK-7c9d1431-8
0.354
MAK-UNK-7c9d1431-6
0.354