Molecular Properties | |
SMILES: | [O-][S+](Cc1cncc2ccccc12)C(CCc1ccc(F)cc1)c1cccc(Cl)c1 |
MW: | 437.1 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 35.95 |
cLogP: | 6.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
MIC-UNK-c66144cb-4
0.776
MIC-UNK-c66144cb-6
0.617
MIC-UNK-c66144cb-2
0.461
DAR-DIA-6a49afbe-1
0.389
MAT-POS-6c284e65-2
0.372
ALP-POS-c3a96089-4
0.372
DAR-DIA-6a49afbe-4
0.367
MIC-UNK-c66144cb-1
0.364
ALP-POS-75715966-2
0.358
PET-UNK-8922bd3c-1
0.357
MIC-UNK-5b1ead09-5
0.352
MIC-UNK-d36ab305-6
0.346
NAU-LAT-a5c7d7cb-4
0.345
MIC-UNK-d36ab305-3
0.345
VLA-UCB-05e51b3f-15
0.343
PET-UNK-6c2be958-1
0.343
VLA-UCB-05e51b3f-17
0.343
JOH-UNI-a38a7bdd-1
0.343
DAR-DIA-53551c05-12
0.343
MIC-UNK-5b1ead09-2
0.339
DAR-DIA-6a49afbe-9
0.337
DAR-DIA-6a49afbe-8
0.337
MIC-UNK-5a93dd5f-2
0.333
EDJ-MED-cf4b0d25-4
0.333
NIR-THE-590dedc7-1
0.333
NAU-LAT-a5c7d7cb-8
0.333
JOH-UNI-50ce7ec3-2
0.333
MIC-UNK-5a93dd5f-1
0.333
MIC-UNK-5a93dd5f-10
0.333
MIC-UNK-6ab519a7-1
0.333
NAU-LAT-a5c7d7cb-2
0.333
ALP-POS-c3a96089-3
0.333
JOH-UNI-a38a7bdd-6
0.330
DAR-DIA-56cf811e-1
0.330
VLA-UCB-05e51b3f-16
0.330
DAR-DIA-076fb6ea-1
0.330
PET-UNK-12d8d43f-1
0.330
VLA-UNK-9a7dc93f-7
0.330
ALP-POS-b3306dea-1
0.327
DAR-DIA-076fb6ea-3
0.327
JOH-UNI-a38a7bdd-5
0.327
MAT-POS-bb423b95-7
0.324
DAR-DIA-6a49afbe-7
0.324
ADA-UCB-6c2cb422-1
0.323
MIC-UNK-5b1ead09-1
0.322
MAT-POS-6c284e65-1
0.322
MAT-POS-173a45da-1
0.321
RAL-THA-2d450e86-7
0.320
PET-UNK-12d8d43f-2
0.318
DAR-DIA-076fb6ea-11
0.316
JOH-UNI-3fc3434e-6
0.315
JOH-UNI-ee5ed7c8-6
0.315
EDJ-MED-ee07cf00-15
0.315
DAR-DIA-6a49afbe-5
0.314
DAR-DIA-56cf811e-5
0.312
DAR-DIA-6a49afbe-11
0.312
DAR-DIA-56cf811e-3
0.312
ALP-UNI-44c99a80-1
0.312
DAR-DIA-6a49afbe-12
0.312
DAR-DIA-076fb6ea-8
0.309
DAR-DIA-6a49afbe-10
0.307
ALP-POS-76eab5ce-2
0.307
EDJ-MED-ee07cf00-5
0.306
JOH-UNI-a38a7bdd-2
0.306
LON-WEI-9739a092-4
0.305
MAK-UNK-ffc90da7-1
0.304
MAK-UNK-c749d764-6
0.304
MIC-UNK-d36ab305-1
0.304
DAR-DIA-076fb6ea-15
0.303
MIC-UNK-5a93dd5f-5
0.303
DAR-DIA-6a49afbe-2
0.302
ALP-POS-f13221e1-3
0.301
NAU-LAT-4ce8bf23-2
0.300
JOH-UNI-50ce7ec3-1
0.300
ALP-POS-7c6e02c7-3
0.300
MIC-UNK-c66144cb-3
0.299
MIC-UNK-5a93dd5f-4
0.299
ALP-POS-3b848b35-4
0.299
PET-UNK-5ecb6237-1
0.299
MAK-UNK-ffc90da7-4
0.298
MAK-UNK-c749d764-22
0.298
MAK-UNK-ffc90da7-7
0.298
RAL-THA-2d450e86-6
0.298
RAL-THA-2d450e86-14
0.298
DAR-DIA-076fb6ea-9
0.298
JOH-UNI-ee5ed7c8-7
0.297
JOH-UNI-3fc3434e-7
0.297
EDJ-MED-ee07cf00-4
0.297
EDJ-MED-ee07cf00-16
0.296
DAR-DIA-076fb6ea-5
0.295
JOH-UNI-ea1df7a8-1
0.295
DAR-DIA-6a49afbe-3
0.294
ALP-POS-76eab5ce-1
0.294
PET-UNK-a692de38-1
0.294
ALP-POS-7c6e02c7-1
0.293
MAT-POS-54c4bf04-3
0.292
MIC-UNK-cdc2493e-3
0.292
PET-UNK-1320d94d-7
0.290
PET-UNK-1320d94d-8
0.290
ERI-UCB-ce40166b-8
0.289