Molecular Properties | |
SMILES: | Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)CCl)CC2)CC1 |
MW: | 505.11 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 112.14 |
cLogP: | 0.71 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-6
SAD-SAT-f2e2579e-5
0.577
SAD-SAT-9a6c5cf3-10
0.575
SAD-SAT-f2e2579e-6
0.573
SAD-SAT-9a6c5cf3-2
0.573
SAD-SAT-9a6c5cf3-5
0.562
SAD-SAT-f2e2579e-10
0.556
SAD-SAT-f2e2579e-3
0.550
SAD-SAT-f2e2579e-4
0.548
SAD-SAT-9a6c5cf3-6
0.535
SAD-SAT-9a6c5cf3-4
0.533
SAD-SAT-9a6c5cf3-9
0.529
SAD-SAT-f2e2579e-7
0.511
SAD-SAT-f2e2579e-8
0.506
RHE-UNK-eb059eb9-1
0.500
SAD-SAT-f2e2579e-9
0.500
WAR-XCH-79d12f6e-6
0.500
AAR-POS-0daf6b7e-3
0.500
MAR-TRE-6a44bbf2-13
0.500
SAD-SAT-f2e2579e-2
0.495
SAD-SAT-9a6c5cf3-1
0.458
SAD-SAT-f2e2579e-1
0.449
MAR-TRE-6a44bbf2-79
0.429
MAK-UNK-750cfbcc-3
0.429
AAR-POS-d2a4d1df-36
0.425
SAD-SAT-b55127ae-3
0.420
MAR-TRE-6a44bbf2-26
0.418
MAK-UNK-7c9d1431-8
0.418
MAK-UNK-750cfbcc-5
0.417
VIR-GIT-7b3d3065-2
0.417
AAR-POS-0daf6b7e-9
0.417
MAR-TRE-6a44bbf2-68
0.397
AAR-POS-d2a4d1df-27
0.397
MAR-LAB-efb042c5-5
0.397
MAK-UNK-7c9d1431-12
0.392
PEI-IMP-ca0b2813-3
0.388
MAK-UNK-c74072e5-8
0.383
MAK-UNK-704ed37c-1
0.382
MAR-TRE-6a44bbf2-65
0.381
MAK-UNK-7c9d1431-19
0.381
TAT-ENA-80bfd3e5-43
0.381
MAK-UNK-7c9d1431-11
0.381
MAR-TRE-6a44bbf2-66
0.380
MAK-UNK-750cfbcc-4
0.380
MAR-TRE-6a44bbf2-32
0.378
ABB-MCD-f8003a30-1
0.378
MAR-TRE-6a44bbf2-78
0.375
MAK-UNK-7c9d1431-13
0.375
JAY-UNK-11f5bdbd-1
0.375
SAD-SAT-2ceae68f-5
0.375
SAD-SAT-2ceae68f-4
0.372
MAK-UNK-704ed37c-7
0.372
DRR-IMP-dff87f5e-4
0.372
SAD-SAT-5b1897b2-9
0.371
KAT-UNK-b2a0d5b1-1
0.369
MAK-UNK-7c9d1431-22
0.369
MAK-UNK-7c9d1431-30
0.368
MAR-TRE-6a44bbf2-45
0.368
AAR-POS-d2a4d1df-44
0.367
DRR-IMP-dff87f5e-3
0.367
MAR-TRE-6a44bbf2-8
0.366
AAR-POS-d2a4d1df-34
0.366
DRR-IMP-dff87f5e-5
0.366
MAK-UNK-7c9d1431-6
0.366
MAK-UNK-7c9d1431-17
0.366
SAD-SAT-29425be4-6
0.363
MAR-TRE-6a44bbf2-58
0.362
KAY-MCD-d0fe5261-1
0.362
MAK-UNK-d4768348-1
0.362
DRR-IMP-dff87f5e-7
0.362
DRR-IMP-dff87f5e-1
0.362
MAK-UNK-7c9d1431-10
0.361
BAP-BUY-55f8bcae-1
0.360
MAK-UNK-704ed37c-4
0.359
MAK-UNK-704ed37c-3
0.359
YOI-UNK-15f562e8-2
0.358
MAK-UNK-7c9d1431-4
0.356
DRR-IMP-dff87f5e-2
0.356
MAK-UNK-7c9d1431-3
0.356
TAT-ENA-80bfd3e5-25
0.356
MAR-TRE-6a44bbf2-21
0.354
MAK-UNK-7c9d1431-9
0.354
MAR-TRE-6a44bbf2-18
0.354
LON-WEI-8f408cad-4
0.354
BEN-DND-03406596-10
0.354
AAR-POS-d2a4d1df-23
0.354
MAK-UNK-7c9d1431-7
0.352
MAR-TRE-6a44bbf2-49
0.352
MAK-UNK-7c9d1431-5
0.352
MAR-TRE-6a44bbf2-31
0.352
NIM-UNI-05f93fcc-7
0.352
SAD-SAT-b55127ae-7
0.352
MAK-UNK-69bf97dd-9
0.351
SAD-SAT-bc31ec01-5
0.350
DRR-IMP-dff87f5e-6
0.349
DRR-IMP-dff87f5e-9
0.349
PEI-IMP-ca0b2813-1
0.349
BEN-DND-03406596-8
0.349
MAR-TRE-6a44bbf2-7
0.349
AAR-POS-d2a4d1df-37
0.349
MAK-UNK-69bf97dd-8
0.347