Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1 |
MW: | 408.505 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 99.68 |
cLogP: | 1.31322 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
beta-keto/anhydride
Hetero_hetero
MAK-UNK-7264f48c-5
0.697
MAK-UNK-7264f48c-6
0.684
MAK-UNK-7264f48c-4
0.671
MAK-UNK-7264f48c-2
0.598
MAK-UNK-7264f48c-1
0.568
MAT-POS-ee51dedd-2
0.500
MAK-UNK-4c6b313a-1
0.479
MAK-UNK-6435e6c2-10
0.479
MAK-UNK-6435e6c2-11
0.479
BEN-DND-09b88bf4-2
0.458
BEN-DND-03406596-7
0.458
BEN-DND-6de5dfa0-1
0.458
MIH-UNI-6b9ca91a-1
0.456
SAD-SAT-bc31ec01-9
0.453
MAK-UNK-10dfa458-18
0.447
BEN-DND-09b88bf4-3
0.446
BEN-DND-6de5dfa0-3
0.446
NAU-LAT-3f5f3993-5
0.446
EDJ-MED-3c65e9ce-1
0.444
BEN-DND-93268d01-8
0.444
BEN-DND-93268d01-11
0.438
NIR-THE-b7e8e081-2
0.435
BEN-DND-6de5dfa0-16
0.435
MAK-UNK-6ca90168-26
0.425
MAK-UNK-10dfa458-46
0.423
BEN-DND-93268d01-9
0.420
BEN-DND-09b88bf4-5
0.420
MAK-UNK-902cc841-17
0.418
MAT-POS-590ac91e-6
0.412
ALE-HEI-f28a35b5-12
0.410
BEN-DND-6de5dfa0-6
0.409
NIR-THE-b7e8e081-1
0.407
EDJ-MED-3c65e9ce-4
0.405
BEN-DND-22e6b372-1
0.404
PET-SGC-a3e47117-1
0.404
MAT-POS-590ac91e-23
0.402
GAB-REV-70cc3ca5-21
0.402
BEN-DND-09b88bf4-6
0.402
BEN-DND-6de5dfa0-7
0.402
PET-SGC-a8a902d9-1
0.402
MAK-UNK-372b0df5-3
0.400
AAR-POS-d2a4d1df-3
0.400
MAK-UNK-6435e6c2-8
0.400
ALE-HEI-f28a35b5-17
0.400
SCO-VAN-260d9628-1
0.400
BEN-DND-6de5dfa0-14
0.398
BEN-DND-93268d01-10
0.398
BEN-DND-6de5dfa0-5
0.395
PET-SGC-6e7c5dc0-1
0.395
BEN-DND-09b88bf4-8
0.393
BEN-DND-09b88bf4-1
0.391
BEN-DND-6de5dfa0-2
0.391
BEN-DND-09b88bf4-4
0.391
BEN-DND-6de5dfa0-4
0.391
BEN-DND-22e6b372-3
0.391
MAT-POS-590ac91e-9
0.390
ASH-SAT-43770c7d-9
0.390
PED-UNI-292b67d6-1
0.389
DAR-DIA-0cde14eb-61
0.389
GAB-REV-70cc3ca5-20
0.388
DAR-DIA-0cde14eb-74
0.387
SIM-DEM-163f01e0-1
0.386
TRY-UNI-714a760b-10
0.386
ALE-HEI-f28a35b5-6
0.386
EDG-MED-0da5ad92-4
0.386
BEN-DND-22e6b372-4
0.384
BEN-DND-93268d01-4
0.384
BEN-DND-22e6b372-2
0.382
MAT-POS-590ac91e-24
0.381
BEN-DND-6de5dfa0-15
0.378
GAB-REV-70cc3ca5-3
0.378
MAT-POS-590ac91e-15
0.376
BEN-DND-6de5dfa0-10
0.376
MAK-UNK-902cc841-15
0.376
MAT-POS-590ac91e-11
0.375
NAU-LAT-3f5f3993-10
0.375
DAR-DIA-0cde14eb-64
0.374
PEI-IMP-ca0b2813-1
0.373
MAT-POS-590ac91e-7
0.373
PET-SGC-83d43576-1
0.372
DAR-DIA-0cde14eb-62
0.370
ASH-UNK-40b46b30-11
0.370
DAR-DIA-0cde14eb-63
0.370
ALE-HEI-f28a35b5-3
0.369
RED-SAT-26a928c9-1
0.368
ANU-UNK-2781581f-1
0.368
BEN-DND-09b88bf4-7
0.367
CHR-SOS-e960e883-4
0.366
JAN-GHE-83b26c96-11
0.366
TRY-UNI-714a760b-5
0.366
BEN-DND-6de5dfa0-9
0.366
EDJ-MED-c9f55a56-1
0.365
ALE-HEI-f28a35b5-10
0.365
MAT-POS-590ac91e-10
0.365
SIM-DEM-2d7ee9fd-1
0.365
MIH-UNI-6b9ca91a-2
0.365
EDJ-MED-e58735b6-3
0.363
PET-SGC-fedd1f79-1
0.362
RAL-THA-6b94ceba-14
0.362
ASH-UNK-40b46b30-16
0.362