Molecular Properties | |
SMILES: | O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(C(=O)CCl)CC1 |
MW: | 441.15 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 1.95 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-69bf97dd-8
0.939
MAK-UNK-69bf97dd-6
0.797
AHN-SAT-de2502ba-2
0.634
MAR-TRE-6a44bbf2-30
0.634
MAK-UNK-69bf97dd-9
0.568
MAK-UNK-69bf97dd-1
0.553
MAR-TRE-66ac689e-47
0.488
AHN-SAT-de2502ba-12
0.475
SAD-SAT-65574d3f-8
0.475
MAR-TRE-6a44bbf2-20
0.475
SAD-SAT-135344c3-3
0.455
SAD-SAT-29425be4-14
0.446
MAK-UNK-69bf97dd-3
0.435
SAD-SAT-9a6c5cf3-10
0.432
MAR-TRE-6a44bbf2-86
0.423
LON-WEI-120e5cf5-15
0.423
SAD-SAT-f2e2579e-6
0.418
SAD-SAT-f2e2579e-4
0.413
MAK-UNK-7c9d1431-12
0.410
SAD-SAT-29425be4-6
0.409
SAD-SAT-29425be4-9
0.409
SAD-SAT-29425be4-15
0.398
SAD-SAT-29425be4-20
0.398
SAD-SAT-29425be4-29
0.394
SAD-SAT-29425be4-19
0.393
MAR-TRE-799db12b-64
0.391
AAR-POS-0daf6b7e-6
0.390
MAR-TRE-6a44bbf2-15
0.390
BEN-DND-03406596-9
0.388
BEN-DND-76ad4ac9-11
0.388
MAR-TRE-6a44bbf2-8
0.383
AAR-POS-d2a4d1df-34
0.383
DRR-IMP-dff87f5e-5
0.383
LON-WEI-120e5cf5-16
0.381
LON-WEI-120e5cf5-12
0.378
SAD-SAT-29425be4-4
0.378
MAK-UNK-69bf97dd-10
0.378
LON-WEI-120e5cf5-11
0.376
MAK-UNK-750cfbcc-2
0.375
MAK-UNK-3d7e3904-2
0.375
SAD-SAT-29425be4-23
0.370
LON-WEI-120e5cf5-20
0.366
SAD-SAT-f2e2579e-1
0.365
MAK-UNK-c97f7c8f-1
0.365
AAR-POS-d2a4d1df-37
0.365
MAR-TRE-6a44bbf2-7
0.365
SAD-SAT-135344c3-1
0.365
SAD-SAT-f2e2579e-8
0.365
LON-WEI-120e5cf5-19
0.364
SAD-SAT-f2e2579e-9
0.361
VIR-GIT-7b3d3065-2
0.360
AAR-POS-0daf6b7e-9
0.360
MAK-UNK-3d7e3904-3
0.360
SAD-SAT-29425be4-3
0.359
SAD-SAT-9a6c5cf3-2
0.358
MAK-UNK-69bf97dd-5
0.357
LON-WEI-120e5cf5-10
0.357
MAK-UNK-c97f7c8f-2
0.356
LON-WEI-120e5cf5-14
0.355
LON-WEI-120e5cf5-13
0.352
SAD-SAT-29425be4-10
0.352
MAK-UNK-a7992eb3-7
0.351
MAK-UNK-3d7e3904-1
0.348
LON-WEI-120e5cf5-21
0.348
SAD-SAT-29425be4-13
0.348
DRR-IMP-db50bf6e-4
0.345
PEI-IMP-ca0b2813-4
0.344
MAK-UNK-750cfbcc-5
0.342
LON-WEI-120e5cf5-3
0.341
SAD-SAT-9a6c5cf3-7
0.340
SAD-SAT-9a6c5cf3-9
0.340
SAD-SAT-f2e2579e-5
0.337
LON-WEI-120e5cf5-4
0.337
LON-WEI-120e5cf5-5
0.333
MAR-TRE-6a44bbf2-79
0.333
MAK-UNK-750cfbcc-3
0.333
YOI-UNK-a533afbc-1
0.333
YOI-UNK-12211982-1
0.333
SAD-SAT-29425be4-12
0.333
MAK-UNK-69bf97dd-4
0.333
SAD-SAT-f2e2579e-3
0.333
MAK-UNK-a7992eb3-4
0.333
LON-WEI-120e5cf5-9
0.333
SAD-SAT-9a6c5cf3-4
0.330
MAK-UNK-69bf97dd-2
0.330
SAD-SAT-9a6c5cf3-5
0.330
AAR-POS-5507155c-2
0.330
LON-WEI-120e5cf5-17
0.330
LON-WEI-120e5cf5-1
0.330
AAR-POS-f650c5f2-4
0.330
MAR-TRE-fd17a9b8-92
0.327
MAK-UNK-a7992eb3-8
0.327
LON-WEI-120e5cf5-2
0.327
SAD-SAT-f2e2579e-10
0.326
PEI-IMP-668afc53-1
0.326
SAD-SAT-f2e2579e-2
0.324
MAK-UNK-a7992eb3-9
0.324
SAD-SAT-29425be4-25
0.324
MAK-UNK-c74072e5-4
0.323
DUN-NEW-f8ce3686-25
0.323