Molecular Properties | |
SMILES: | O=C(NCc1ccccc1S(=O)(=O)N1CCCC1)C1CCN(C(=O)CCl)CC1 |
MW: | 427.13 |
Fraction sp3: | 0.58 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 1.56 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-69bf97dd-7
0.939
MAK-UNK-69bf97dd-6
0.819
AHN-SAT-de2502ba-2
0.583
MAR-TRE-6a44bbf2-30
0.583
MAK-UNK-69bf97dd-9
0.524
MAR-TRE-66ac689e-47
0.519
MAK-UNK-69bf97dd-1
0.512
AHN-SAT-de2502ba-12
0.487
SAD-SAT-65574d3f-8
0.487
MAR-TRE-6a44bbf2-20
0.487
SAD-SAT-135344c3-3
0.482
SAD-SAT-29425be4-14
0.457
MAK-UNK-69bf97dd-3
0.444
SAD-SAT-9a6c5cf3-10
0.442
MAR-TRE-6a44bbf2-86
0.434
LON-WEI-120e5cf5-15
0.434
SAD-SAT-f2e2579e-6
0.427
SAD-SAT-f2e2579e-4
0.422
MAK-UNK-7c9d1431-12
0.421
SAD-SAT-29425be4-6
0.419
SAD-SAT-29425be4-9
0.418
SAD-SAT-29425be4-20
0.407
SAD-SAT-29425be4-19
0.402
SAD-SAT-29425be4-29
0.402
MAR-TRE-799db12b-64
0.400
AAR-POS-0daf6b7e-6
0.400
MAR-TRE-6a44bbf2-15
0.400
BEN-DND-76ad4ac9-11
0.398
BEN-DND-03406596-9
0.398
MAR-TRE-6a44bbf2-8
0.392
AAR-POS-d2a4d1df-34
0.392
DRR-IMP-dff87f5e-5
0.392
LON-WEI-120e5cf5-16
0.390
LON-WEI-120e5cf5-12
0.386
MAK-UNK-750cfbcc-2
0.386
LON-WEI-120e5cf5-11
0.386
MAK-UNK-69bf97dd-10
0.385
MAK-UNK-3d7e3904-2
0.384
SAD-SAT-29425be4-23
0.378
LON-WEI-120e5cf5-20
0.375
SAD-SAT-29425be4-15
0.375
AAR-POS-d2a4d1df-37
0.373
MAR-TRE-6a44bbf2-7
0.373
MAK-UNK-c97f7c8f-1
0.373
SAD-SAT-f2e2579e-1
0.373
SAD-SAT-135344c3-1
0.372
SAD-SAT-f2e2579e-8
0.372
LON-WEI-120e5cf5-19
0.372
SAD-SAT-29425be4-4
0.371
SAD-SAT-f2e2579e-9
0.368
MAK-UNK-3d7e3904-3
0.368
SAD-SAT-29425be4-3
0.367
LON-WEI-120e5cf5-10
0.366
SAD-SAT-9a6c5cf3-2
0.366
MAK-UNK-c97f7c8f-2
0.365
MAK-UNK-69bf97dd-5
0.365
LON-WEI-120e5cf5-14
0.363
LON-WEI-120e5cf5-13
0.360
MAK-UNK-a7992eb3-7
0.359
SAD-SAT-29425be4-10
0.358
LON-WEI-120e5cf5-21
0.356
MAK-UNK-3d7e3904-1
0.356
SAD-SAT-29425be4-13
0.356
DRR-IMP-db50bf6e-4
0.353
PEI-IMP-ca0b2813-4
0.352
LON-WEI-120e5cf5-3
0.349
SAD-SAT-9a6c5cf3-7
0.347
LON-WEI-120e5cf5-4
0.344
SAD-SAT-f2e2579e-5
0.344
MAR-TRE-6a44bbf2-79
0.342
MAK-UNK-750cfbcc-3
0.342
LON-WEI-120e5cf5-5
0.341
SAD-SAT-f2e2579e-3
0.341
LON-WEI-120e5cf5-9
0.340
MAK-UNK-69bf97dd-4
0.340
SAD-SAT-9a6c5cf3-6
0.340
YOI-UNK-a533afbc-1
0.340
YOI-UNK-12211982-1
0.340
MAK-UNK-a7992eb3-4
0.339
AAR-POS-5507155c-2
0.337
LON-WEI-120e5cf5-17
0.337
LON-WEI-120e5cf5-1
0.337
AAR-POS-f650c5f2-4
0.337
SAD-SAT-9a6c5cf3-5
0.337
MAK-UNK-69bf97dd-2
0.337
SAD-SAT-9a6c5cf3-4
0.337
MAK-UNK-a7992eb3-8
0.333
MAK-UNK-750cfbcc-5
0.333
LON-WEI-120e5cf5-2
0.333
SAD-SAT-f2e2579e-10
0.333
MAR-TRE-fd17a9b8-92
0.333
PEI-IMP-668afc53-1
0.333
VIR-GIT-7b3d3065-2
0.333
AAR-POS-0daf6b7e-9
0.333
SAD-SAT-9a6c5cf3-9
0.333
MAK-UNK-a7992eb3-9
0.330
SAD-SAT-f2e2579e-2
0.330
SAD-SAT-29425be4-25
0.330
MAK-UNK-c74072e5-4
0.330
MAR-TRE-6a44bbf2-21
0.329