Molecular Properties | |
SMILES: | C=CS(=O)(=O)NN(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 443.07 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 3.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Activated double bonds (3)
Filter10_Terminal_vinyl
Filter20_hydrazine
Filter88_ene_sulfone
acyl hydrazine
Hetero_hetero
JOH-UNI-ea72002d-7
0.822
MAT-POS-090737b9-1
0.660
VLA-UCB-05e51b3f-10
0.660
VLA-UCB-50c39ae8-7
0.660
WIL-UCB-7ba4ac3a-2
0.649
MAK-UNK-3875bbc8-2
0.649
DAR-DIA-5ff57136-11
0.640
PET-UNK-064639eb-3
0.639
PET-UNK-064639eb-6
0.639
VLA-UCB-05e51b3f-4
0.635
VLA-UCB-50c39ae8-1
0.635
VLA-UNK-5c5a631c-2
0.634
DAR-DIA-5ff57136-15
0.624
VLA-UCB-50c39ae8-6
0.616
VLA-UCB-05e51b3f-9
0.616
VLA-UNK-5c5a631c-3
0.614
DAR-DIA-5ff57136-14
0.604
DAR-DIA-5ff57136-18
0.604
MAT-POS-9db1e783-3
0.604
DAR-DIA-5ff57136-9
0.604
VLA-UCB-34f3ed0c-19
0.602
DAR-DIA-5ff57136-10
0.602
VLA-UCB-34f3ed0c-1
0.602
VLA-UNK-5c5a631c-1
0.598
VLA-UNK-4b5c0188-1
0.598
DAR-DIA-5ff57136-13
0.598
DAR-DIA-5ff57136-17
0.596
DAR-DIA-5ff57136-16
0.592
JOH-UNI-ea72002d-1
0.587
VLA-UCB-34f3ed0c-20
0.581
DAR-DIA-5ff57136-19
0.574
MAK-UNK-83e0a0b4-3
0.573
ALP-UNI-44c99a80-3
0.570
ALP-UNI-44c99a80-2
0.565
DAR-DIA-5ff57136-12
0.559
JOH-UNI-ea72002d-5
0.536
VLA-UCB-05e51b3f-7
0.535
VLA-UCB-50c39ae8-4
0.535
MAT-POS-b3e365b9-2
0.530
MAT-POS-b3e365b9-1
0.530
VLA-UCB-1dbca3b4-15
0.530
MAT-POS-f7918075-1
0.530
ALF-EVA-5b152d2f-4
0.529
NIR-WEI-acbd6416-2
0.529
FRA-DIA-a1f3a927-1
0.529
MAT-POS-e69ad64a-2
0.519
NIR-THE-47736cde-2
0.519
NIR-THE-47736cde-1
0.519
DAR-DIA-6a508060-2
0.510
ALF-EVA-a24cc7ce-2
0.505
MAK-UNK-3875bbc8-1
0.495
DAR-DIA-6a508060-1
0.495
JOH-UNI-21fd6073-3
0.491
NIR-THE-2069301b-1
0.486
ADA-UCB-dc2b944c-10
0.481
DAR-DIA-b4e9dd8d-6
0.478
DAR-DIA-b4e9dd8d-1
0.478
DAR-DIA-b4e9dd8d-3
0.478
NIR-THE-af15c15d-1
0.477
ALF-EVA-5b152d2f-1
0.472
DAR-DIA-5ff57136-2
0.468
DAR-DIA-5ff57136-1
0.468
JOH-UNI-f51e3bbc-4
0.468
EDG-MED-5d232de5-2
0.467
EDG-MED-5d232de5-1
0.467
ALP-POS-ce760d3f-7
0.467
ALP-POS-696356e4-1
0.467
ALF-EVA-5b152d2f-6
0.463
ALF-EVA-a24cc7ce-6
0.462
JOH-UNI-ea72002d-3
0.460
JOH-UNI-1b27fa5e-2
0.458
BEN-DND-d1eb1f41-17
0.455
ADA-UCB-dc2b944c-9
0.454
JOH-UNI-f51e3bbc-3
0.454
ERI-UCB-8d4e5055-4
0.450
BEN-DND-c852c98b-5
0.450
WIL-UCB-7ba4ac3a-3
0.448
ALF-EVA-5b152d2f-2
0.444
MAK-UNK-3875bbc8-3
0.442
RAL-THA-b9d6aec1-3
0.441
CHE-UNK-1fcbaeee-2
0.441
JOH-UNI-21fd6073-4
0.441
JOH-UNI-ea72002d-4
0.440
ALP-POS-ce760d3f-3
0.439
EDJ-MED-ba7e64f2-1
0.439
BEN-DND-4f474d93-2
0.439
BEN-DND-c852c98b-4
0.439
NIR-THE-5be8b355-1
0.439
MAT-POS-8293a91a-3
0.436
MAT-POS-f9802937-7
0.436
CHE-UNK-1fcbaeee-3
0.435
RAL-THA-b9d6aec1-1
0.434
RAL-THA-b9d6aec1-2
0.434
EDJ-MED-12c115cc-2
0.433
MAT-POS-bbbbc21a-2
0.433
MAT-POS-f7918075-2
0.433
EDJ-MED-12c115cc-1
0.433
BEN-DND-c852c98b-7
0.432
ERI-UCB-8d4e5055-3
0.432
MAT-POS-7ddaf7de-2
0.432