Molecular Properties | |
SMILES: | Cc1ccncc1C1c2ncccc2C(c2cccc(Cl)c2)[S+]1[O-] |
MW: | 354.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 48.84 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
MIC-UNK-4e776895-2
0.577
MIC-UNK-4e776895-5
0.416
MIC-UNK-4e776895-4
0.378
MIC-UNK-4e776895-3
0.371
EDJ-MED-49816e9b-6
0.345
EDJ-MED-e66f2cc5-2
0.337
VLA-UCB-1dbca3b4-4
0.311
EDJ-MED-49816e9b-4
0.308
EDJ-MED-e66f2cc5-1
0.308
PET-UNK-eda34f30-1
0.304
PET-UNK-7a31b064-3
0.295
MAK-UNK-6ca90168-24
0.291
PET-UNK-7a31b064-4
0.286
PET-UNK-4dc48bbe-1
0.286
VLA-UCB-00f2c2b3-3
0.281
PET-UNK-4dc48bbe-7
0.281
PET-UNK-bbe8d7ff-1
0.280
MAR-TRE-4b834d9a-26
0.277
EDJ-MED-49816e9b-1
0.276
JAN-GHE-83b26c96-24
0.273
JAN-GHE-83b26c96-21
0.267
ADA-UCB-6c2cb422-7
0.267
NIM-UNI-b87c0f72-2
0.265
NIM-UNI-b87c0f72-1
0.265
VLA-UCB-00f2c2b3-4
0.264
JAN-GHE-83b26c96-18
0.264
TRY-UNI-714a760b-12
0.264
JAG-UCB-cedd89ab-8
0.264
EDG-MED-0da5ad92-5
0.264
JAN-GHE-83b26c96-23
0.264
EDG-MED-0da5ad92-6
0.261
TRY-UNI-714a760b-6
0.261
EDG-MED-0da5ad92-11
0.261
JAN-GHE-83b26c96-20
0.261
SAD-SAT-7d5528d9-18
0.260
PET-UNK-5eca9d1d-1
0.260
BAR-COM-ebf5acce-2
0.260
EDG-MED-0da5ad92-19
0.258
EDG-MED-0da5ad92-3
0.258
DAR-DIA-43a5904b-6
0.258
DAR-DIA-43a5904b-5
0.258
MAK-UNK-f203cb68-18
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EDG-MED-0da5ad92-1
0.256
JAN-GHE-83b26c96-15
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JAN-GHE-83b26c96-17
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EDG-MED-0da5ad92-10
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JAN-GHE-83b26c96-22
0.256
PET-UNK-94460c07-3
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MAK-UNK-f203cb68-3
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DAR-DIA-43a5904b-1
0.255
JAN-GHE-83b26c96-5
0.253
JAN-GHE-83b26c96-25
0.253
TRY-UNI-2eddb1ff-4
0.253
JAN-GHE-83b26c96-4
0.253
TRY-UNI-2eddb1ff-5
0.253
DAR-DIA-2964957d-2
0.253
TRY-UNI-714a760b-18
0.253
JAG-UCB-cedd89ab-1
0.253
ALP-POS-95b75b4d-11
0.253
BAR-COM-0f94fc3d-25
0.253
PET-UNK-94460c07-4
0.253
WIL-UNI-2e73223c-4
0.253
SAD-SAT-7d5528d9-13
0.250
DAV-CRI-1c77f7a9-4
0.250
SAD-SAT-7d5528d9-17
0.250
JAN-GHE-83b26c96-8
0.250
PET-UNK-7a31b064-5
0.250
DAR-DIA-076fb6ea-16
0.250
JOH-UNI-a38a7bdd-3
0.250
JAN-GHE-83b26c96-9
0.250
ALP-POS-f13221e1-4
0.250
SAD-SAT-7d5528d9-7
0.245
PET-UNK-7a31b064-6
0.245
PET-UNK-5eca9d1d-3
0.245
VLA-UCB-00f2c2b3-5
0.245
JAN-GHE-83b26c96-10
0.245
SAD-SAT-7d5528d9-4
0.243
ERI-UCB-ce40166b-24
0.243
BAR-COM-ebf5acce-1
0.242
ADA-UCB-6c2cb422-5
0.242
PET-UNK-5eca9d1d-2
0.242
MAT-POS-1e5f28a7-1
0.242
BAR-COM-0f94fc3d-38
0.242
RIT-AID-a492ba81-1
0.241
ADA-UCB-6c2cb422-9
0.241
MAK-UNK-f203cb68-10
0.240
JOH-UNI-a38a7bdd-7
0.240
DAR-DIA-076fb6ea-7
0.240
SAM-UNK-2684b532-2
0.240
PET-UNK-bbe8d7ff-2
0.240
BEN-DND-61647d40-20
0.239
BAR-COM-ebf5acce-13
0.238
MAK-UNK-f203cb68-4
0.238
WAR-XCH-eb7b662f-7
0.238
DAR-DIA-23aa0b97-14
0.238
JOR-UNI-2fc98d0b-7
0.238
JAN-GHE-83b26c96-19
0.238
BAR-COM-ebf5acce-6
0.238
MAK-UNK-f203cb68-19
0.238
JOH-UNI-a38a7bdd-9
0.238