Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1C(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 |
MW: | 394.478 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.68 |
cLogP: | 1.2482 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Hetero_hetero
MAK-UNK-7264f48c-2
0.632
MAK-UNK-7264f48c-5
0.605
MAK-UNK-7264f48c-4
0.582
MAK-UNK-7264f48c-3
0.568
MAK-UNK-7264f48c-6
0.556
MAK-UNK-4c6b313a-1
0.531
MAK-UNK-6435e6c2-11
0.531
MAK-UNK-6435e6c2-10
0.531
SAD-SAT-bc31ec01-9
0.500
MAK-UNK-10dfa458-46
0.486
MAK-UNK-10dfa458-18
0.471
MAT-POS-ee51dedd-2
0.465
MAK-UNK-902cc841-18
0.356
MAK-UNK-902cc841-17
0.341
WAR-XCH-e55cba98-8
0.337
ALE-MCD-4ac17b19-1
0.333
WAR-XCH-e55cba98-4
0.330
MAK-UNK-902cc841-16
0.322
PEI-IMP-ca0b2813-1
0.321
MAK-UNK-bdda130a-4
0.319
AAR-POS-d2a4d1df-3
0.319
MAK-UNK-6435e6c2-8
0.319
PEI-IMP-ca0b2813-2
0.316
SAD-SAT-2fd372d1-4
0.316
BAR-COM-4e090d3a-24
0.316
DAN-MCD-3bfdcef2-1
0.313
DAN-MCD-0c04f563-1
0.313
MAT-POS-b5746674-56
0.312
ALE-HEI-f28a35b5-17
0.312
SCO-VAN-260d9628-1
0.312
DAN-MCD-0fb4364c-1
0.310
MAK-UNK-bdda130a-1
0.310
MAK-UNK-bdda130a-6
0.309
MAT-POS-b5746674-55
0.308
MAK-UNK-bdda130a-2
0.306
MAK-UNK-902cc841-8
0.306
MIH-UNI-6b9ca91a-1
0.301
MAK-UNK-902cc841-15
0.301
DAN-MCD-68a9aade-1
0.299
DAN-MCD-a37c31cb-1
0.299
DAN-MCD-e5161b06-1
0.299
SAD-SAT-2fd372d1-9
0.299
BEN-DND-6de5dfa0-3
0.299
BEN-DND-09b88bf4-3
0.299
NAU-LAT-3f5f3993-5
0.299
MAK-UNK-6435e6c2-1
0.299
DAN-MCD-50d01569-1
0.295
DAN-MCD-3ec20f87-1
0.295
MAK-UNK-009ebe36-2
0.295
BEN-DND-6de5dfa0-10
0.294
BEN-DND-93268d01-8
0.294
EDJ-MED-3c65e9ce-1
0.294
DAN-MCD-0742953f-1
0.294
DAN-MCD-c163c0bb-1
0.293
MIH-UNI-6b9ca91a-2
0.292
SIM-SYN-3099a863-3
0.292
MAT-POS-590ac91e-65
0.291
MAK-UNK-6435e6c2-5
0.291
BEN-DND-6de5dfa0-19
0.291
SAD-SAT-7d5528d9-2
0.289
NAU-LAT-3f5f3993-10
0.289
MAT-POS-590ac91e-27
0.287
ASH-UNK-40b46b30-16
0.287
BEN-DND-6de5dfa0-2
0.287
BEN-DND-09b88bf4-1
0.287
DAN-MCD-93e7aadc-1
0.287
ANT-OPE-7824651a-2
0.286
ALE-MCD-a1893bfb-1
0.286
MAK-UNK-bdda130a-5
0.286
DAN-MCD-f396e45b-1
0.284
DAN-MCD-9cdc9f7f-1
0.284
ANU-UNK-2781581f-2
0.284
CHR-SOS-1f323c23-12
0.284
MAK-UNK-6ca90168-19
0.284
DAN-MCD-02570321-1
0.283
MAK-UNK-902cc841-10
0.283
BEN-DND-22e6b372-1
0.283
DAN-MCD-8aee1169-1
0.282
DAN-MCD-52f1549c-1
0.282
BEN-DND-7e92b6ca-7
0.281
CHR-SOS-1f323c23-6
0.281
MAK-UNK-f2409524-22
0.281
BEN-DND-09b88bf4-2
0.281
BEN-DND-03406596-7
0.281
BEN-DND-6de5dfa0-1
0.281
BEN-DND-6de5dfa0-21
0.281
MAR-TRE-6a44bbf2-78
0.280
MAK-UNK-7c9d1431-13
0.280
MAT-POS-590ac91e-57
0.280
DAN-MCD-7eba3d41-1
0.280
DAR-DIA-0cde14eb-69
0.280
SIM-DEM-163f01e0-1
0.279
SAD-SAT-7d5528d9-5
0.278
CHR-SOS-1f323c23-9
0.278
SAD-SAT-135344c3-5
0.278
BEN-DND-09b88bf4-6
0.278
MAR-TRE-2fd8122f-86
0.278
BEN-DND-6de5dfa0-7
0.278
MAT-POS-590ac91e-66
0.277
PET-SGC-a8a902d9-1
0.277