Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1 |
MW: | 492.09 |
Fraction sp3: | 0.56 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 138.16 |
cLogP: | -0.36 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-9a6c5cf3-5
0.735
SAD-SAT-f2e2579e-10
0.725
SAD-SAT-9a6c5cf3-9
0.685
SAD-SAT-9a6c5cf3-2
0.671
SAD-SAT-9a6c5cf3-6
0.603
SAD-SAT-f2e2579e-3
0.581
SAD-SAT-9a6c5cf3-7
0.577
SAD-SAT-f2e2579e-7
0.573
SAD-SAT-9a6c5cf3-10
0.566
SAD-SAT-f2e2579e-6
0.564
SAD-SAT-f2e2579e-4
0.557
MAR-TRE-6a44bbf2-68
0.522
MAR-LAB-efb042c5-5
0.522
AAR-POS-d2a4d1df-27
0.522
MAK-UNK-c74072e5-8
0.522
SAD-SAT-f2e2579e-2
0.517
SAD-SAT-f2e2579e-8
0.512
DRR-IMP-dff87f5e-3
0.507
AAR-POS-d2a4d1df-44
0.507
SAD-SAT-f2e2579e-9
0.506
KAY-MCD-d0fe5261-1
0.500
DRR-IMP-dff87f5e-7
0.500
DRR-IMP-dff87f5e-1
0.500
MAR-TRE-6a44bbf2-58
0.500
MAK-UNK-7c9d1431-6
0.500
MAR-TRE-6a44bbf2-78
0.493
MAK-UNK-7c9d1431-13
0.493
MAK-UNK-750cfbcc-5
0.484
MAK-UNK-7c9d1431-22
0.479
MAK-UNK-7c9d1431-17
0.479
DRR-IMP-dff87f5e-6
0.479
DRR-IMP-dff87f5e-9
0.479
SAD-SAT-9a6c5cf3-1
0.478
MAR-TRE-6a44bbf2-79
0.476
MAK-UNK-750cfbcc-3
0.476
SAD-SAT-9a6c5cf3-4
0.473
MAK-UNK-7c9d1431-9
0.471
MAR-TRE-6a44bbf2-21
0.471
AAR-POS-0daf6b7e-9
0.462
VIR-GIT-7b3d3065-2
0.462
PEI-IMP-ca0b2813-2
0.457
SAD-SAT-f2e2579e-1
0.452
BAP-BUY-55f8bcae-1
0.447
MAK-UNK-69bf97dd-9
0.446
MAK-UNK-7c9d1431-8
0.438
MAR-TRE-6a44bbf2-26
0.438
SAD-SAT-3a925b8b-2
0.437
BEN-DND-03406596-8
0.434
MAK-UNK-7c9d1431-10
0.432
JAY-UNK-11f5bdbd-1
0.431
MAK-UNK-704ed37c-1
0.420
PEI-IMP-ca0b2813-1
0.419
MAK-UNK-d4768348-1
0.417
MAT-POS-ee51dedd-2
0.417
MAK-UNK-7c9d1431-19
0.416
MAR-TRE-6a44bbf2-32
0.413
ABB-MCD-f8003a30-1
0.413
SAD-SAT-5b1897b2-9
0.413
DRR-IMP-dff87f5e-4
0.408
MAR-TRE-6a44bbf2-18
0.405
BEN-DND-03406596-10
0.405
LON-WEI-8f408cad-4
0.405
AAR-POS-d2a4d1df-23
0.405
MAK-UNK-7c9d1431-3
0.405
MAK-UNK-7c9d1431-4
0.405
DRR-IMP-dff87f5e-2
0.405
TAT-ENA-80bfd3e5-25
0.405
SAD-SAT-bc31ec01-5
0.403
MAK-UNK-7c9d1431-5
0.400
MAR-TRE-6a44bbf2-49
0.400
MAR-TRE-6a44bbf2-31
0.400
MAK-UNK-7c9d1431-7
0.400
MED-COV-4280ac29-5
0.398
DRR-IMP-dff87f5e-8
0.395
MAK-UNK-704ed37c-3
0.394
MAK-UNK-704ed37c-4
0.394
YOI-UNK-15f562e8-2
0.392
MAK-UNK-704ed37c-7
0.389
PEI-IMP-ca0b2813-3
0.388
IND-SYN-6c8299e8-2
0.388
MAK-UNK-69bf97dd-5
0.385
NIR-THE-0d6461ce-4
0.384
TAT-ENA-80bfd3e5-43
0.380
MAR-TRE-6a44bbf2-65
0.380
MAK-UNK-7c9d1431-11
0.380
MAK-UNK-d4768348-4
0.378
SAD-SAT-3a925b8b-9
0.378
MAR-TRE-6a44bbf2-66
0.378
MAK-UNK-750cfbcc-4
0.378
MAR-TRE-6a44bbf2-38
0.378
MAK-UNK-7c9d1431-1
0.378
SAD-SAT-bc31ec01-4
0.377
MAK-UNK-750cfbcc-1
0.375
MAK-UNK-69bf97dd-4
0.374
MAK-UNK-7c9d1431-12
0.373
MAK-UNK-d4768348-5
0.373
MAK-UNK-d4768348-8
0.373
MAK-UNK-750cfbcc-2
0.373
SAD-SAT-2ceae68f-4
0.371
STU-CHA-83dacf15-1
0.371