Molecular Properties | |
SMILES: | C=CS(=O)(=O)N(C(=O)Cc1cccc(Cl)c1)c1cnc(C(F)F)cc1C |
MW: | 400.05 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 67.34 |
cLogP: | 4.03 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated double bonds (3)
Filter10_Terminal_vinyl
Filter88_ene_sulfone
Hetero_hetero
JOH-UNI-50ce7ec3-6
0.743
JOH-UNI-50ce7ec3-3
0.619
JOH-UNI-50ce7ec3-1
0.517
JOH-UNI-50ce7ec3-4
0.472
JAN-GHE-d851b096-1
0.413
DAR-DIA-076fb6ea-2
0.411
BAR-COM-ebf5acce-3
0.398
JAN-GHE-83b26c96-15
0.395
EDG-MED-0da5ad92-1
0.395
JOH-UNI-50ce7ec3-2
0.389
PET-UNK-bbe8d7ff-1
0.385
DAR-DIA-56cf811e-6
0.381
JOH-UNI-a38a7bdd-4
0.380
JOH-UNI-a38a7bdd-3
0.380
DAR-DIA-56cf811e-2
0.380
DAR-DIA-076fb6ea-6
0.379
DAR-DIA-076fb6ea-7
0.379
JOH-UNI-a38a7bdd-9
0.375
PET-UNK-8df914d1-3
0.372
PET-UNK-e8c7a26f-2
0.371
PET-UNK-bbe8d7ff-2
0.370
DAR-DIA-076fb6ea-16
0.366
JAG-UCB-a3ef7265-17
0.365
NAU-LAT-e1818702-7
0.365
EDJ-MED-49816e9b-2
0.365
BAR-COM-ebf5acce-15
0.365
DAR-DIA-076fb6ea-13
0.364
BAR-COM-ebf5acce-6
0.361
JOH-UNI-a38a7bdd-8
0.360
JOH-UNI-a38a7bdd-7
0.360
JAN-GHE-83b26c96-16
0.360
MIC-UNK-67d4a29a-3
0.358
BAR-COM-ebf5acce-2
0.357
BAR-COM-ebf5acce-8
0.356
JOH-UNI-6fede743-1
0.355
BAR-COM-ebf5acce-1
0.354
DAR-DIA-56cf811e-4
0.354
BAR-COM-ebf5acce-10
0.354
DAR-DIA-076fb6ea-4
0.350
TRY-UNI-714a760b-3
0.348
BAR-COM-ebf5acce-9
0.347
EDG-MED-0da5ad92-14
0.345
VLA-UCB-05e51b3f-15
0.344
PET-UNK-6c2be958-1
0.344
PET-UNK-12d8d43f-1
0.344
MAT-POS-29385cc1-4
0.344
VLA-UCB-05e51b3f-16
0.343
DAR-DIA-076fb6ea-1
0.343
BAR-COM-ebf5acce-13
0.343
MIC-UNK-67d4a29a-2
0.340
JOH-UNI-6fede743-5
0.340
BAR-COM-ebf5acce-4
0.340
BAR-COM-ebf5acce-12
0.340
BAR-COM-ebf5acce-7
0.340
EDG-MED-0da5ad92-18
0.337
MAT-POS-bb423b95-7
0.337
MIC-UNK-67d4a29a-1
0.337
JOH-UNI-ee5ed7c8-13
0.333
EDG-MED-0da5ad92-16
0.333
PET-UNK-158bee2a-3
0.333
PET-UNK-8df914d1-4
0.333
EDG-MED-0da5ad92-13
0.333
EDG-MED-0da5ad92-17
0.333
BAR-COM-ebf5acce-14
0.333
EDJ-MED-b24713dc-4
0.333
JOH-UNI-3fc3434e-13
0.333
DAR-DIA-076fb6ea-14
0.330
BAR-COM-ebf5acce-5
0.330
MAT-POS-8feb6e35-2
0.330
MIC-UNK-51049f1a-5
0.330
VLA-UCB-05e51b3f-17
0.330
BEN-DND-1e24cf73-3
0.330
EDJ-MED-49816e9b-3
0.330
EDG-MED-0da5ad92-12
0.330
PET-UNK-7fb4f80a-3
0.327
JOH-UNI-a38a7bdd-5
0.327
EDJ-MED-6e43a462-4
0.326
MIC-UNK-d935700b-1
0.326
SAM-UNK-2684b532-11
0.326
PET-UNK-f92d7c0c-3
0.326
TRY-UNI-714a760b-6
0.326
PET-UNK-7fb4f80a-4
0.324
VLA-UCB-05e51b3f-3
0.324
BAR-COM-ebf5acce-11
0.324
DAR-DIA-56cf811e-5
0.324
MIC-UNK-67d4a29a-4
0.323
ALP-POS-cd485364-1
0.323
EDJ-MED-6e43a462-8
0.323
JOH-UNI-6fede743-2
0.323
EDJ-MED-b24713dc-2
0.323
ABI-SAT-4d06482b-2
0.322
PET-UNK-7fb4f80a-1
0.320
DAR-DIA-076fb6ea-8
0.320
ALP-POS-79636100-3
0.320
BEN-DND-1e24cf73-7
0.320
RUB-POS-1325a9ea-22
0.319
EDG-MED-0da5ad92-21
0.318
JOH-UNI-a38a7bdd-6
0.318
JOH-UNI-3fc3434e-10
0.317
JOH-UNI-ee5ed7c8-10
0.317