Molecular Properties | |
SMILES: | O=S1(=O)CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 |
MW: | 358.485 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 74.76 |
cLogP: | 0.5701 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
PEI-IMP-3d837503-3
0.448
PEI-IMP-3d837503-5
0.444
GIA-UNK-5ec6c2b8-4
0.441
MAR-TRE-6a44bbf2-21
0.435
MAK-UNK-7c9d1431-9
0.435
PEI-IMP-3d837503-2
0.419
PEI-IMP-3d837503-4
0.413
GIA-UNK-595fac82-4
0.382
GIA-UNK-eaadd1d4-3
0.366
PEI-IMP-3d837503-1
0.356
JAR-KUA-41bd5a3d-4
0.351
SCO-CSI-071a6f1c-1
0.333
ANT-OPE-7824651a-2
0.319
BEN-DND-7e92b6ca-7
0.310
MAT-POS-590ac91e-57
0.307
PEI-IMP-e4a008a2-1
0.297
MAT-POS-590ac91e-58
0.295
MAT-POS-590ac91e-56
0.292
SCO-CSI-e56d7cb6-1
0.290
MAK-UNK-c74072e5-8
0.288
SAD-SAT-2fd372d1-6
0.286
MAR-TRE-04c86cea-46
0.286
JAR-IMP-ed466bb3-4
0.283
SIM-SYN-a98e6a07-1
0.283
MAK-UNK-7c9d1431-13
0.278
MAR-TRE-6a44bbf2-78
0.278
CLI-UNI-032f7715-4
0.277
AAR-POS-d2a4d1df-23
0.274
BEN-DND-76ad4ac9-6
0.274
DAN-MCD-5c762fbe-1
0.274
BEN-DND-03406596-10
0.274
MAR-TRE-6a44bbf2-18
0.274
LON-WEI-8f408cad-4
0.274
DAN-MCD-50ec7d1f-1
0.274
KEN-MCD-6084b33e-1
0.273
TAT-ENA-80bfd3e5-43
0.273
MAR-TRE-6a44bbf2-65
0.273
MAT-POS-b5746674-57
0.273
MAK-UNK-7c9d1431-11
0.273
MAK-UNK-6435e6c2-5
0.271
HIR-FOR-a67ea703-1
0.270
JAR-KUA-41bd5a3d-19
0.268
DRR-IMP-dff87f5e-3
0.268
AAR-POS-d2a4d1df-44
0.268
DRR-IMP-dff87f5e-8
0.267
MAK-UNK-7c9d1431-3
0.266
DRR-IMP-dff87f5e-2
0.266
BEN-DND-03ad4429-4
0.265
MAR-TRE-6a44bbf2-68
0.264
AAR-POS-d2a4d1df-27
0.264
KAY-MCD-d0fe5261-1
0.264
DRR-IMP-dff87f5e-1
0.264
DRR-IMP-dff87f5e-7
0.264
PEI-IMP-ca0b2813-2
0.264
MAR-TRE-6a44bbf2-58
0.264
MAR-LAB-efb042c5-5
0.264
MAK-UNK-10dfa458-5
0.257
BEN-DND-03ad4429-3
0.257
MAK-UNK-7c9d1431-19
0.256
SCO-CSI-e30c12ee-1
0.255
MAT-POS-b5746674-55
0.254
MAK-UNK-7c9d1431-17
0.253
PEI-IMP-ca0b2813-1
0.253
MAK-UNK-10dfa458-29
0.253
DRR-IMP-dff87f5e-6
0.253
DRR-IMP-dff87f5e-9
0.253
MAK-UNK-7c9d1431-6
0.253
DRA-CSI-3ab97369-1
0.252
ABB-MCD-f8003a30-1
0.250
MAK-UNK-7c9d1431-4
0.250
MAK-UNK-df1a028e-7
0.250
TAT-ENA-80bfd3e5-25
0.250
SAD-SAT-f2e2579e-5
0.250
PEI-IMP-ca0b2813-3
0.250
MAR-TRE-3159af1a-31
0.250
BEN-DND-03406596-3
0.250
MAR-TRE-6a44bbf2-32
0.250
IND-SYN-6c8299e8-2
0.250
BEN-DND-76ad4ac9-14
0.250
KEN-MCD-4729dc98-1
0.247
GIA-UNK-20b63697-3
0.247
NAU-LAT-f723e322-4
0.247
SAD-SAT-3a925b8b-2
0.247
MAR-TRE-6a44bbf2-89
0.247
BEN-DND-03ad4429-1
0.246
SAD-SAT-9a6c5cf3-9
0.244
SAD-SAT-9a6c5cf3-5
0.244
MAK-UNK-7c9d1431-22
0.244
AHN-SAT-de2502ba-6
0.244
MAR-TRE-6a44bbf2-43
0.244
HUB-UNK-9845d277-12
0.243
SAD-SAT-b55127ae-5
0.243
MAT-POS-b5746674-56
0.243
JAY-UNK-11f5bdbd-1
0.243
SAD-SAT-65574d3f-3
0.242
SAD-SAT-f2e2579e-10
0.241
ROD-UFR-9b69e111-1
0.241
BEN-DND-03406596-8
0.241
BEN-DND-03ad4429-2
0.240
MAR-TRE-3e4e6814-23
0.239