Molecular Properties | |
SMILES: | N#CCN(C(=O)CCN(C(=O)C1COc2ccc(Cl)cc21)c1cncc2ccccc12)S(=O)(=O)c1ccccc1 |
MW: | 574.11 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 8 |
TPSA: | 120.67 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
Long aliphatic chain
Hetero_hetero
JOH-UNI-21fd6073-1
0.817
JOH-UNI-21fd6073-3
0.575
JOH-UNI-21fd6073-4
0.545
ALF-EVA-a24cc7ce-2
0.523
DAR-DIA-5ff57136-13
0.500
NIR-THE-af15c15d-1
0.496
NIR-THE-47736cde-2
0.496
NIR-THE-47736cde-1
0.496
MAT-POS-e69ad64a-2
0.496
VLA-UNK-5c5a631c-1
0.492
VLA-UNK-5c5a631c-2
0.492
NIR-THE-2069301b-1
0.492
DAR-DIA-5ff57136-17
0.476
VLA-UNK-4b5c0188-1
0.475
DAR-DIA-b4e9dd8d-6
0.472
DAR-DIA-b4e9dd8d-1
0.472
DAR-DIA-b4e9dd8d-3
0.472
MAK-UNK-83e0a0b4-3
0.462
ALP-UNI-44c99a80-3
0.457
PET-UNK-064639eb-3
0.455
PET-UNK-064639eb-6
0.455
ALP-UNI-44c99a80-2
0.453
VLA-UCB-05e51b3f-9
0.439
VLA-UCB-50c39ae8-6
0.439
MAT-POS-f7918075-2
0.431
EDJ-MED-12c115cc-1
0.431
EDJ-MED-12c115cc-2
0.431
MAT-POS-bbbbc21a-2
0.431
DAR-DIA-5ff57136-15
0.425
JOH-UNI-ea72002d-7
0.425
DAR-DIA-5ff57136-10
0.422
VLA-UCB-34f3ed0c-1
0.422
MAK-UNK-3875bbc8-2
0.421
WIL-UCB-7ba4ac3a-2
0.421
DAR-DIA-5ff57136-14
0.421
JOH-UNI-ea72002d-6
0.419
VLA-UNK-5c5a631c-3
0.417
VLA-UCB-50c39ae8-1
0.415
VLA-UCB-05e51b3f-4
0.415
DAR-DIA-5ff57136-11
0.414
DAR-DIA-5ff57136-18
0.409
DAR-DIA-5ff57136-16
0.403
VLA-UCB-05e51b3f-10
0.402
MAT-POS-090737b9-1
0.402
VLA-UCB-50c39ae8-7
0.402
VLA-UCB-34f3ed0c-20
0.397
VLA-UCB-05e51b3f-7
0.391
VLA-UCB-50c39ae8-4
0.391
VLA-UCB-34f3ed0c-19
0.389
JOH-UNI-ea72002d-1
0.389
MAR-UCB-6ab2ec87-5
0.388
NIR-THE-5be8b355-1
0.386
DAR-DIA-5ff57136-9
0.385
DAR-DIA-5ff57136-19
0.385
MAT-POS-9db1e783-3
0.385
DAR-DIA-5ff57136-1
0.385
DAR-DIA-5ff57136-2
0.385
DAR-DIA-5ff57136-12
0.377
ALP-POS-a0a4abd7-6
0.376
ALF-EVA-5b152d2f-4
0.373
MAT-POS-b3e365b9-2
0.371
VLA-UCB-1dbca3b4-15
0.371
MAT-POS-f7918075-1
0.371
MAT-POS-b3e365b9-1
0.371
DAR-DIA-6a508060-1
0.368
PET-UNK-f860268d-3
0.365
PET-UNK-f860268d-6
0.365
ALF-EVA-5b152d2f-1
0.362
ERI-UCB-b3e6b0c2-1
0.362
PET-UNK-9b053684-3
0.362
PET-UNK-615ad708-3
0.362
PET-UNK-615ad708-6
0.362
PET-UNK-9b053684-6
0.362
ERI-UCB-b3e6b0c2-7
0.361
ALP-POS-a0a4abd7-8
0.361
PET-UNK-f860268d-4
0.360
PET-UNK-f860268d-1
0.360
MAT-POS-5cd9ea36-18
0.360
ALP-POS-6d96567b-2
0.359
ALP-POS-a0a4abd7-9
0.359
MAK-UNK-8be7dca9-3
0.357
PET-UNK-9b053684-1
0.355
PET-UNK-9b053684-4
0.355
PET-UNK-064639eb-1
0.354
PET-UNK-064639eb-4
0.354
PET-UNK-064639eb-5
0.353
PET-UNK-064639eb-2
0.353
ALF-EVA-a24cc7ce-4
0.349
ALP-POS-a0a4abd7-7
0.349
MAK-UNK-8be7dca9-10
0.349
EDJ-MED-e4b030d8-6
0.348
MAK-UNK-83e0a0b4-4
0.347
DAR-DIA-6a508060-2
0.346
BEN-DND-c852c98b-5
0.346
ERI-UCB-8d4e5055-4
0.346
PET-UNK-9b053684-2
0.345
PET-UNK-9b053684-5
0.345
NAU-LAT-4ce8bf23-2
0.344
EDJ-MED-e4b030d8-11
0.344
ADA-UCB-dc2b944c-13
0.344