Molecular Properties | |
SMILES: | O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCN(C(=O)CCl)CC1 |
MW: | 449.08 |
Fraction sp3: | 0.65 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.02 |
cLogP: | 0.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-69bf97dd-6
0.552
SAD-SAT-2ceae68f-9
0.551
SAD-SAT-29425be4-14
0.544
MAR-TRE-a9136c7b-17
0.524
MAK-UNK-009ebe36-4
0.473
MAK-UNK-69bf97dd-5
0.467
MAK-UNK-69bf97dd-9
0.449
MAK-UNK-69bf97dd-8
0.444
MAK-UNK-69bf97dd-7
0.435
SAD-SAT-f2e2579e-3
0.432
MAK-UNK-69bf97dd-1
0.426
SAD-SAT-f2e2579e-9
0.411
SAD-SAT-29425be4-6
0.400
NIM-UNI-05f93fcc-1
0.400
NIM-UNI-310206f0-70
0.394
MAK-UNK-e05327b2-8
0.392
AAR-POS-0daf6b7e-15
0.388
MAK-UNK-009ebe36-5
0.381
SAD-SAT-9a6c5cf3-1
0.379
MAR-TRE-2fd8122f-94
0.375
MAK-UNK-69bf97dd-10
0.370
SAD-SAT-29425be4-19
0.370
MAK-UNK-3d7e3904-3
0.367
MAK-UNK-750cfbcc-2
0.365
MAK-UNK-69bf97dd-2
0.363
MAR-TRE-6a44bbf2-86
0.361
LON-WEI-120e5cf5-15
0.361
SAD-SAT-29425be4-15
0.359
SAD-SAT-29425be4-20
0.359
NIM-UNI-310206f0-68
0.358
SAD-SAT-29425be4-9
0.357
SAD-SAT-29425be4-29
0.357
LON-WEI-120e5cf5-20
0.357
YOI-UNK-12211982-1
0.353
YOI-UNK-a533afbc-1
0.353
NIM-UNI-05f93fcc-14
0.352
SAD-SAT-29425be4-3
0.351
NIM-UNI-05f93fcc-9
0.351
LON-WEI-120e5cf5-10
0.349
MAR-TRE-6a44bbf2-15
0.349
AAR-POS-0daf6b7e-6
0.349
NIM-UNI-05f93fcc-13
0.348
NIM-UNI-05f93fcc-3
0.348
NIM-UNI-05f93fcc-11
0.344
NIM-UNI-05f93fcc-7
0.344
SAD-SAT-f2e2579e-8
0.343
MAK-UNK-704ed37c-6
0.341
MAK-UNK-c97f7c8f-1
0.341
LON-WEI-120e5cf5-16
0.341
LON-WEI-120e5cf5-19
0.341
NIM-UNI-05f93fcc-2
0.341
MAK-UNK-69bf97dd-4
0.340
LON-WEI-120e5cf5-11
0.337
LON-WEI-120e5cf5-1
0.337
AAR-POS-f650c5f2-4
0.337
NIM-UNI-310206f0-69
0.337
AAR-POS-5507155c-2
0.337
LON-WEI-120e5cf5-17
0.337
NIM-UNI-05f93fcc-6
0.337
MAK-UNK-704ed37c-3
0.333
MAK-UNK-c97f7c8f-2
0.333
LON-WEI-120e5cf5-14
0.333
MAK-UNK-a7992eb3-8
0.333
SAD-SAT-29425be4-4
0.330
NIM-UNI-05f93fcc-5
0.330
NIM-UNI-310206f0-67
0.330
SAD-SAT-f2e2579e-5
0.330
LON-WEI-120e5cf5-13
0.330
SAD-SAT-9a6c5cf3-6
0.327
NIM-UNI-05f93fcc-17
0.326
SAD-SAT-29425be4-13
0.326
LON-WEI-120e5cf5-12
0.326
NIM-UNI-310206f0-71
0.326
LON-WEI-120e5cf5-21
0.326
MAK-UNK-987948f6-15
0.326
SAD-SAT-9a6c5cf3-5
0.323
NIM-UNI-05f93fcc-10
0.323
NIM-UNI-05f93fcc-15
0.323
MAK-UNK-3d7e3904-2
0.323
SAD-SAT-29425be4-10
0.321
AAR-POS-d2a4d1df-22
0.321
MAR-TRE-6a44bbf2-52
0.321
LON-WEI-8f408cad-3
0.321
SAD-SAT-f2e2579e-4
0.320
SAD-SAT-9a6c5cf3-7
0.320
SAD-SAT-9a6c5cf3-9
0.320
SAD-SAT-f2e2579e-10
0.320
SAD-SAT-9a6c5cf3-10
0.320
SAD-SAT-65574d3f-8
0.319
MAR-TRE-6a44bbf2-20
0.319
AHN-SAT-de2502ba-12
0.319
LON-WEI-120e5cf5-3
0.319
BEN-DND-76ad4ac9-1
0.318
SAD-SAT-29425be4-25
0.317
SAD-SAT-29425be4-16
0.317
MAK-UNK-a7992eb3-7
0.316
LON-WEI-120e5cf5-4
0.316
SAD-SAT-f2e2579e-7
0.314
NIM-UNI-05f93fcc-12
0.314
NIM-UNI-05f93fcc-4
0.314