Molecular Properties | |
SMILES: | O=c1ccccn1Cc1snnc1C1CCOc2ccc(Cl)cc21 |
MW: | 359.05 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.01 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
VLA-UNK-0ffe3317-3
0.469
VLA-UNK-0ffe3317-2
0.443
VLA-UNK-0ffe3317-6
0.385
NAU-LAT-28398581-6
0.369
NAU-LAT-28398581-1
0.327
EDG-MED-fe7487f8-13
0.320
ROB-UNI-569bc02e-3
0.318
DAR-DIA-8b715a25-14
0.318
ALP-POS-6495d03e-5
0.315
VLA-UCB-05e51b3f-8
0.312
VLA-UCB-50c39ae8-5
0.312
NAU-LAT-8502cac5-13
0.309
IND-SYN-6c8299e8-6
0.309
DAR-DIA-6a508060-7
0.308
PET-UNK-158bee2a-5
0.308
VLA-UNK-0ffe3317-7
0.308
RAL-THA-b74298ba-2
0.306
EDG-MED-fe7487f8-15
0.305
NAU-LAT-28398581-7
0.305
JOH-UNI-1b27fa5e-1
0.304
MAK-UNK-919546f0-6
0.302
JAG-UCB-a3ef7265-20
0.302
MAT-POS-968e8d9c-1
0.302
JAG-UCB-119787ef-1
0.302
RAL-THA-b74298ba-4
0.300
ROB-UNI-569bc02e-6
0.300
BEN-DND-02317c5c-3
0.300
MAT-POS-51833a24-1
0.300
MAT-POS-acfe5bae-5
0.298
MAT-POS-14f31916-2
0.298
PET-UNK-158bee2a-7
0.298
ALP-POS-6495d03e-1
0.297
DAR-DIA-6a508060-1
0.297
LON-WEI-0a73fcb8-6
0.296
EDG-MED-fe7487f8-8
0.296
ERI-UCB-9c7ec71b-4
0.296
JAG-UCB-c61058a9-44
0.296
NAU-LAT-8502cac5-10
0.295
RAL-THA-b74298ba-1
0.295
NAU-LAT-28398581-2
0.295
RAL-THA-04c5403f-2
0.295
MAT-UCB-70f7c0f7-6
0.295
VLA-UCB-05e51b3f-9
0.293
VLA-UCB-50c39ae8-6
0.293
VLA-UCB-05e51b3f-19
0.292
VLA-UCB-50c39ae8-12
0.292
JAG-UCB-52b62a6f-2
0.292
ADA-UCB-b1b30a00-7
0.292
ROB-UNI-569bc02e-1
0.292
ALP-POS-bea7b391-1
0.292
NAU-LAT-28398581-3
0.291
NAU-LAT-64bf4c5d-6
0.291
NAU-LAT-28398581-8
0.291
RAL-THA-b74298ba-3
0.290
EDG-MED-fe7487f8-9
0.290
EDG-MED-fe7487f8-14
0.290
ERI-UCB-9c7ec71b-3
0.290
JAG-UCB-c61058a9-21
0.290
NAU-LAT-b7d8c353-7
0.290
ADA-UCB-b1b30a00-8
0.289
JOH-UNI-1b27fa5e-4
0.289
MIC-UNK-fc94cdb5-2
0.288
ALP-POS-e2fddb0f-2
0.288
ALP-POS-79636100-1
0.288
ERI-UCB-a38d41be-1
0.288
NAU-LAT-64bf4c5d-5
0.288
NAU-LAT-64bf4c5d-2
0.287
NAU-LAT-64bf4c5d-3
0.287
MAK-UNK-919546f0-3
0.287
MAK-UNK-f481d203-5
0.287
NAU-LAT-b7d8c353-5
0.287
MAK-UNK-f481d203-6
0.287
JAG-UCB-52b62a6f-11
0.287
ALP-POS-6495d03e-4
0.286
ALP-POS-64a6e87e-1
0.286
ROB-UNI-569bc02e-4
0.284
NAU-LAT-b7d8c353-1
0.284
JAN-GHE-f4ca5a00-22
0.284
JOH-UNI-d0d90dc1-3
0.284
JAN-GHE-f4ca5a00-23
0.284
VLA-UCB-05e51b3f-18
0.283
ALF-EVA-a24cc7ce-6
0.283
VLA-UCB-50c39ae8-11
0.283
ADA-UCB-b1b30a00-6
0.283
NAU-LAT-b7d8c353-3
0.283
MAT-POS-51833a24-3
0.283
FRA-DIA-e29753f2-1
0.283
BEN-DND-b89db3f2-1
0.283
JAG-UCB-c61058a9-45
0.283
RAL-THA-3d7a794f-4
0.283
RAL-THA-3d7a794f-3
0.282
MIC-UNK-42806bd5-4
0.282
DAR-DIA-5ff57136-10
0.281
JOH-UNI-ea72002d-1
0.281
VLA-UNK-5c5a631c-2
0.281
VLA-UCB-05e51b3f-20
0.281
VLA-UCB-50c39ae8-13
0.281
JAN-GHE-f4ca5a00-2
0.281
JOH-UNI-1b27fa5e-3
0.281
JOH-UNI-16fcdf60-1
0.280