Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N(c1cncc2ccccc12)S(=O)(=O)F |
MW: | 378.02 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 67.34 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogen_heteroatom
sulfonyl_halide
Acyl halides and analogues
Halogen-bonded heteroatoms
Filter2_acyl_phosphyl_sulfonyl_halide
Filter25_sulfonyl_halide
Filter47_so2f
sufonyl halide
acid halide
P/S halide
Hetero_hetero
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
JOH-UNI-50ce7ec3-1
0.750
VLA-UCB-05e51b3f-17
0.649
MAT-POS-bb423b95-7
0.645
PET-UNK-6c2be958-1
0.628
VLA-UCB-05e51b3f-15
0.628
PET-UNK-12d8d43f-1
0.628
JOH-UNI-a38a7bdd-5
0.619
JOH-UNI-a38a7bdd-1
0.617
JOH-UNI-a38a7bdd-2
0.617
PET-UNK-5ecb6237-1
0.613
JOH-UNI-50ce7ec3-4
0.613
JOH-UNI-a38a7bdd-6
0.598
DAR-DIA-076fb6ea-1
0.598
VLA-UCB-05e51b3f-16
0.598
PET-UNK-12d8d43f-2
0.598
PET-UNK-a692de38-1
0.598
DAR-DIA-56cf811e-1
0.598
DAR-DIA-076fb6ea-15
0.590
DAR-DIA-076fb6ea-5
0.588
NAU-LAT-4ce8bf23-2
0.583
DAR-DIA-076fb6ea-8
0.576
DAR-DIA-56cf811e-5
0.575
DAR-DIA-56cf811e-3
0.557
ALP-UNI-44c99a80-1
0.557
ALP-UNI-44c99a80-4
0.551
DAR-DIA-076fb6ea-3
0.538
DAR-DIA-076fb6ea-11
0.538
DAR-DIA-076fb6ea-9
0.531
DAR-DIA-076fb6ea-12
0.495
JOH-UNI-50ce7ec3-6
0.494
ADA-UCB-6c2cb422-1
0.476
JOH-UNI-50ce7ec3-3
0.473
MIC-UNK-67d4a29a-1
0.453
DAR-DIA-6a49afbe-1
0.452
JOH-UNI-3fc3434e-13
0.444
JOH-UNI-ee5ed7c8-13
0.444
MIC-UNK-67d4a29a-2
0.438
ALF-EVA-a24cc7ce-7
0.435
MIC-UNK-67d4a29a-4
0.433
MIC-UNK-67d4a29a-3
0.427
JOH-UNI-3fc3434e-7
0.426
JOH-UNI-ee5ed7c8-7
0.426
JOH-UNI-ee5ed7c8-10
0.421
JOH-UNI-3fc3434e-10
0.421
JOH-UNI-3fc3434e-9
0.419
JOH-UNI-ee5ed7c8-9
0.419
DAR-DIA-6a49afbe-4
0.418
MAT-POS-e69ad64a-3
0.413
PET-UNK-e8c7a26f-1
0.411
MAT-POS-90fd5f68-36
0.411
JOH-UNI-ee5ed7c8-5
0.411
JOH-UNI-3fc3434e-5
0.411
RUB-POS-1325a9ea-18
0.409
JOH-UNI-6fede743-2
0.404
ALP-POS-76eab5ce-2
0.402
ALP-POS-76eab5ce-1
0.402
MAT-POS-90fd5f68-29
0.398
MAT-POS-3cc264b0-1
0.398
JOH-UNI-6fede743-4
0.398
EDJ-MED-50fe53e8-1
0.398
MAK-UNK-c749d764-33
0.396
ALP-POS-75715966-2
0.394
ALP-POS-f13221e1-3
0.393
JOH-UNI-50ce7ec3-5
0.389
MAT-POS-90fd5f68-27
0.389
MAT-POS-90fd5f68-35
0.389
EDG-MED-0da5ad92-1
0.388
JAN-GHE-83b26c96-15
0.388
ALP-POS-b3306dea-1
0.386
JOH-UNI-ee5ed7c8-8
0.385
JOH-UNI-3fc3434e-8
0.385
JOH-UNI-3fc3434e-11
0.383
JOH-UNI-ee5ed7c8-11
0.383
JOH-UNI-a38a7bdd-9
0.383
JOH-UNI-a38a7bdd-7
0.381
VLA-UCB-05e51b3f-9
0.379
VLA-UCB-50c39ae8-6
0.379
MAT-POS-6c284e65-1
0.379
MAT-POS-f7918075-5
0.378
MAT-POS-90fd5f68-28
0.378
JOH-UNI-ea72002d-7
0.377
ALP-POS-c3a96089-3
0.377
PET-UNK-8df914d1-1
0.376
EDJ-MED-00c1612e-1
0.376
BAR-COM-ebf5acce-4
0.375
JOH-UNI-a38a7bdd-3
0.374
JIN-POS-6dc588a4-11
0.374
JOH-UNI-a38a7bdd-4
0.374
PET-UNK-d899bab6-1
0.372
MAT-POS-90fd5f68-25
0.372
MAT-POS-90fd5f68-24
0.371
PET-UNK-7fb4f80a-2
0.371
MAT-POS-90fd5f68-30
0.371
RUB-POS-1325a9ea-4
0.370
MAT-POS-90fd5f68-40
0.370
DAR-DIA-0f7b7cd9-5
0.368
MAT-POS-6c284e65-2
0.368
ALP-POS-c3a96089-4
0.368
PET-UNK-c6bcc80b-7
0.367
JOH-UNI-a38a7bdd-8
0.367