Molecular Properties | |
SMILES: | O=c1ccccn1Cc1nnnn1C1CCOc2ccc(Cl)cc21 |
MW: | 343.08 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 74.83 |
cLogP: | 1.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
VLA-UNK-0ffe3317-5
0.469
VLA-UNK-0ffe3317-2
0.453
VLA-UNK-0ffe3317-4
0.376
ROB-UNI-569bc02e-2
0.345
VLA-UCB-05e51b3f-8
0.343
VLA-UCB-50c39ae8-5
0.343
ROB-UNI-569bc02e-7
0.333
ROB-UNI-569bc02e-8
0.331
DAR-DIA-6a508060-1
0.327
DAR-DIA-8b715a25-14
0.324
NAU-LAT-28398581-1
0.321
JAG-UCB-a3ef7265-20
0.320
JAG-UCB-119787ef-1
0.320
MAT-POS-968e8d9c-1
0.320
DAR-DIA-6a508060-7
0.314
ERI-UCB-9c7ec71b-4
0.314
NAU-LAT-8502cac5-10
0.314
EDG-MED-fe7487f8-13
0.314
JOH-UNI-ea72002d-4
0.314
VLA-UCB-05e51b3f-18
0.312
VLA-UCB-50c39ae8-11
0.312
NAU-LAT-b7d8c353-3
0.312
FRA-DIA-e29753f2-1
0.312
BEN-DND-b89db3f2-1
0.312
JAG-UCB-c61058a9-45
0.312
RAL-THA-b74298ba-2
0.311
NAU-LAT-28398581-6
0.311
NAU-LAT-28398581-7
0.311
ADA-UCB-b1b30a00-7
0.309
JAN-GHE-f4ca5a00-2
0.309
ROB-UNI-569bc02e-1
0.309
ALP-POS-bea7b391-1
0.309
ALP-POS-6495d03e-5
0.308
NAU-LAT-28398581-8
0.308
NAU-LAT-b7d8c353-7
0.308
RAL-THA-b74298ba-4
0.306
BEN-DND-02317c5c-3
0.306
MAT-POS-51833a24-1
0.306
NAU-LAT-64bf4c5d-2
0.305
NAU-LAT-64bf4c5d-3
0.305
EDJ-MED-97c1bf5c-3
0.304
ALP-POS-6495d03e-1
0.303
NAU-LAT-8502cac5-13
0.303
JAN-GHE-f4ca5a00-22
0.302
JOH-UNI-d0d90dc1-3
0.302
EDG-MED-fe7487f8-8
0.302
IND-SYN-6c8299e8-6
0.301
RAL-THA-3d7a794f-4
0.301
NAU-LAT-28398581-2
0.300
ALF-EVA-a24cc7ce-6
0.300
LON-WEI-0a73fcb8-4
0.300
ADA-UCB-b1b30a00-6
0.300
ROB-UNI-569bc02e-3
0.299
VLA-UCB-05e51b3f-9
0.298
VLA-UCB-50c39ae8-6
0.298
JOH-UNI-1b27fa5e-1
0.297
VLA-UCB-05e51b3f-19
0.297
VLA-UCB-05e51b3f-20
0.297
VLA-UCB-50c39ae8-12
0.297
VLA-UCB-50c39ae8-13
0.297
JAG-UCB-52b62a6f-3
0.297
JAG-UCB-52b62a6f-6
0.296
WIL-UCB-7ba4ac3a-3
0.296
MIC-UNK-deda7a44-6
0.296
NAU-LAT-64bf4c5d-6
0.296
JAG-UCB-c61058a9-41
0.295
JAG-UCB-c61058a9-21
0.295
MAK-UNK-919546f0-6
0.295
ADA-UCB-b1b30a00-8
0.295
ALP-POS-e2fddb0f-2
0.294
ALP-POS-79636100-1
0.294
ERI-UCB-a38d41be-1
0.294
JAN-GHE-f4ca5a00-1
0.294
JAG-UCB-c61058a9-22
0.292
NAU-LAT-b7d8c353-5
0.292
JAG-UCB-c61058a9-18
0.291
NAU-LAT-8502cac5-2
0.291
MIC-UNK-deda7a44-5
0.291
DAR-DIA-6a508060-2
0.291
JAG-UCB-52b62a6f-17
0.291
VLA-UNK-5c5a631c-3
0.291
LON-WEI-0a73fcb8-6
0.290
JAN-GHE-f4ca5a00-23
0.290
RAL-THA-b74298ba-1
0.288
JAG-UCB-52b62a6f-5
0.288
MAK-UNK-3875bbc8-2
0.288
RAL-THA-04c5403f-2
0.288
MAT-UCB-70f7c0f7-6
0.288
WIL-UCB-7ba4ac3a-2
0.288
MIC-UNK-42806bd5-4
0.287
RAL-THA-3d7a794f-2
0.287
RAL-THA-3d7a794f-3
0.287
JAG-UCB-52b62a6f-2
0.286
MAK-UNK-919546f0-7
0.286
EDG-MED-0e5afe9d-2
0.286
JOH-UNI-16fcdf60-1
0.286
JOH-SUS-a69c159d-4
0.286
JOH-UNI-1b27fa5e-3
0.286
EDG-MED-fe7487f8-15
0.286
EDJ-MED-fb4b7746-3
0.286