Molecular Properties | |
SMILES: | O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)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-9
0.675
MAK-UNK-69bf97dd-7
0.553
MAK-UNK-69bf97dd-8
0.512
MAK-UNK-009ebe36-7
0.500
SAD-SAT-29425be4-9
0.494
MAK-UNK-69bf97dd-6
0.436
AHN-SAT-de2502ba-5
0.434
SAD-SAT-29425be4-29
0.430
MAK-UNK-69bf97dd-3
0.426
MAK-UNK-69bf97dd-5
0.421
SAD-SAT-29425be4-15
0.420
SAD-SAT-29425be4-6
0.416
MAR-TRE-fd17a9b8-92
0.414
BEN-DND-03406596-10
0.412
LON-WEI-8f408cad-4
0.412
AAR-POS-d2a4d1df-23
0.412
MAR-TRE-6a44bbf2-18
0.412
BEN-DND-76ad4ac9-6
0.412
BEN-DND-03406596-3
0.412
BEN-DND-76ad4ac9-14
0.412
SAD-SAT-29425be4-20
0.404
DRR-IMP-dff87f5e-8
0.402
SAD-SAT-29425be4-14
0.402
AHN-SAT-de2502ba-11
0.398
PEI-IMP-ca0b2813-3
0.395
TAT-ENA-80bfd3e5-25
0.395
IND-SYN-6c8299e8-2
0.395
MAK-UNK-7c9d1431-4
0.395
MAR-TRE-6a44bbf2-43
0.393
AHN-SAT-de2502ba-6
0.393
AHN-SAT-de2502ba-18
0.388
MAR-TRE-6a44bbf2-65
0.388
MAK-UNK-7c9d1431-11
0.388
TAT-ENA-80bfd3e5-43
0.388
SAD-SAT-9a6c5cf3-6
0.381
SAD-SAT-9a6c5cf3-2
0.379
MAR-TRE-6a44bbf2-86
0.378
LON-WEI-120e5cf5-15
0.378
MAK-UNK-69bf97dd-2
0.376
SAD-SAT-9a6c5cf3-9
0.375
AHN-SAT-de2502ba-17
0.372
LON-WEI-120e5cf5-21
0.371
LON-WEI-120e5cf5-19
0.371
MAK-UNK-69bf97dd-10
0.370
SAD-SAT-f2e2579e-2
0.369
AHN-SAT-de2502ba-10
0.368
MAK-UNK-69bf97dd-4
0.367
SAD-SAT-f2e2579e-7
0.366
SAD-SAT-29425be4-3
0.366
MAK-UNK-750cfbcc-2
0.365
BEN-DND-76ad4ac9-7
0.365
MAR-TRE-6a44bbf2-15
0.365
AAR-POS-0daf6b7e-6
0.365
MAK-UNK-10dfa458-40
0.364
SAD-SAT-9a6c5cf3-10
0.362
LON-WEI-120e5cf5-14
0.362
MAR-TRE-6a44bbf2-31
0.360
MAK-UNK-7c9d1431-5
0.360
MAC-MCD-4707377b-1
0.360
SAD-SAT-f2e2579e-5
0.359
SAD-SAT-29425be4-10
0.358
LON-WEI-120e5cf5-20
0.357
SAD-SAT-29425be4-4
0.356
MAR-TRE-799db12b-9
0.356
LON-WEI-120e5cf5-16
0.356
MAK-UNK-c97f7c8f-1
0.356
SAD-SAT-29425be4-19
0.355
MAR-TRE-6a44bbf2-32
0.353
BEN-DND-76ad4ac9-4
0.353
ABB-MCD-f8003a30-1
0.353
MAK-UNK-7c9d1431-10
0.353
SAD-SAT-9a6c5cf3-1
0.352
LON-WEI-120e5cf5-11
0.352
MAK-UNK-7c9d1431-26
0.352
MAK-UNK-3d7e3904-2
0.352
MAR-TRE-6a44bbf2-22
0.352
SAD-SAT-9a6c5cf3-5
0.351
JAY-UNK-11f5bdbd-1
0.349
AHN-SAT-de2502ba-19
0.349
MAK-UNK-af83ef51-6
0.349
LON-WEI-120e5cf5-10
0.349
MAK-UNK-c97f7c8f-2
0.348
DRR-IMP-dff87f5e-2
0.348
LON-WEI-120e5cf5-3
0.348
MAK-UNK-7c9d1431-3
0.348
SAD-SAT-f2e2579e-10
0.347
LON-WEI-120e5cf5-2
0.347
MAK-UNK-7c9d1431-9
0.346
MAR-TRE-6a44bbf2-21
0.346
DAN-MCD-50ec7d1f-1
0.345
LON-WEI-120e5cf5-13
0.344
MAK-UNK-7c9d1431-7
0.344
MAR-TRE-6a44bbf2-49
0.344
SAD-SAT-f2e2579e-8
0.343
DAN-MCD-1c3944e2-1
0.343
MAK-UNK-8fdbca50-24
0.342
MAK-UNK-7c9d1431-8
0.341
PEI-IMP-ca0b2813-1
0.341
MAR-TRE-6a44bbf2-26
0.341
MAK-UNK-7c9d1431-19
0.341