Molecular Properties | |
SMILES: | N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)CCl)CC2)CC1 |
MW: | 438.11 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 101.79 |
cLogP: | 0.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
MAR-TRE-6a44bbf2-7
0.731
AAR-POS-d2a4d1df-37
0.731
SAD-SAT-2ceae68f-4
0.720
SAD-SAT-9a6c5cf3-10
0.658
SAD-SAT-f2e2579e-6
0.654
SAD-SAT-f2e2579e-10
0.595
SAD-SAT-9a6c5cf3-5
0.562
SAD-SAT-f2e2579e-5
0.557
SAD-SAT-9a6c5cf3-7
0.548
SAD-SAT-f2e2579e-3
0.531
SAD-SAT-9a6c5cf3-4
0.516
SAD-SAT-f2e2579e-8
0.506
SAD-SAT-9a6c5cf3-2
0.500
SAD-SAT-9a6c5cf3-9
0.494
SAD-SAT-f2e2579e-9
0.483
SAD-SAT-9a6c5cf3-6
0.483
SAD-SAT-f2e2579e-1
0.479
MAK-UNK-7c9d1431-12
0.467
SAD-SAT-f2e2579e-7
0.462
MAK-UNK-750cfbcc-3
0.449
MAR-TRE-6a44bbf2-79
0.449
SAD-SAT-f2e2579e-2
0.448
MAK-UNK-3f402c2b-13
0.447
MAK-UNK-750cfbcc-5
0.437
VIR-GIT-7b3d3065-2
0.437
AAR-POS-0daf6b7e-9
0.437
MAR-TRE-6a44bbf2-8
0.436
AAR-POS-d2a4d1df-34
0.436
DRR-IMP-dff87f5e-5
0.436
MAK-UNK-69bf97dd-8
0.422
SAD-SAT-bc31ec01-10
0.418
MAT-POS-590ac91e-62
0.414
SAD-SAT-9a6c5cf3-1
0.414
MAK-UNK-69bf97dd-7
0.413
MAK-UNK-c74072e5-4
0.409
MAT-POS-590ac91e-61
0.404
MAK-UNK-69bf97dd-6
0.400
DRR-IMP-db50bf6e-4
0.393
DRR-IMP-dff87f5e-4
0.390
PEI-IMP-ca0b2813-4
0.389
BEN-DND-03406596-9
0.388
BEN-DND-76ad4ac9-11
0.388
DRR-IMP-dff87f5e-9
0.383
MAK-UNK-704ed37c-1
0.382
SAD-SAT-b55127ae-3
0.374
MAK-UNK-6ca90168-6
0.373
MAR-TRE-6a44bbf2-21
0.372
MAK-UNK-7c9d1431-9
0.372
SAD-SAT-5b1897b2-9
0.371
MAK-UNK-6ca90168-9
0.370
PEI-IMP-668afc53-1
0.370
SAD-SAT-9a6c5cf3-3
0.369
MAK-UNK-7c9d1431-6
0.366
WAR-XCH-72a8c209-6
0.366
MAK-UNK-6ca90168-8
0.360
MAK-UNK-704ed37c-3
0.359
MAK-UNK-704ed37c-4
0.359
AAR-POS-d2a4d1df-36
0.357
WAR-XCH-79d12f6e-6
0.357
MAR-TRE-6a44bbf2-13
0.357
RHE-UNK-eb059eb9-1
0.357
AAR-POS-0daf6b7e-3
0.357
MAK-UNK-704ed37c-7
0.354
MAR-TRE-6a44bbf2-86
0.354
LON-WEI-120e5cf5-15
0.354
KAT-UNK-b2a0d5b1-1
0.353
PEI-IMP-ca0b2813-1
0.349
MAK-UNK-c74072e5-8
0.349
MAK-UNK-7c9d1431-11
0.349
MAK-UNK-7c9d1431-19
0.349
MAR-TRE-6a44bbf2-65
0.349
TAT-ENA-80bfd3e5-43
0.349
SAD-SAT-29425be4-26
0.347
LON-WEI-8f408cad-3
0.346
MAK-UNK-d4768348-1
0.346
MAK-UNK-750cfbcc-4
0.346
SAD-SAT-3a925b8b-2
0.346
MAR-TRE-6a44bbf2-66
0.346
MAR-TRE-6a44bbf2-52
0.346
AAR-POS-d2a4d1df-22
0.346
BEN-DND-76ad4ac9-4
0.345
MAR-TRE-6a44bbf2-4
0.341
LON-WEI-8f408cad-2
0.341
YOI-UNK-15f562e8-2
0.341
MAR-TRE-6a44bbf2-78
0.341
AAR-POS-d2a4d1df-32
0.341
MAK-UNK-7c9d1431-13
0.341
AAR-POS-0daf6b7e-6
0.341
MAR-TRE-6a44bbf2-15
0.341
TAT-ENA-80bfd3e5-25
0.341
MAK-UNK-7c9d1431-4
0.341
MAK-UNK-6ca90168-7
0.341
MAK-UNK-7c9d1431-3
0.341
DRR-IMP-dff87f5e-2
0.341
MAK-UNK-10dfa458-40
0.341
MAK-UNK-704ed37c-2
0.338
AAR-POS-d2a4d1df-23
0.337
BEN-DND-03406596-10
0.337
MAR-TRE-6a44bbf2-18
0.337
LON-WEI-8f408cad-4
0.337