Molecular Properties | |
SMILES: | O=C(C[S+]([O-])CC(=O)Nc1cccnc1)Nc1ccc(F)cc1 |
MW: | 335.07 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 94.15 |
cLogP: | 1.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Long aliphatic chain
Tri_Pentavalent_S
MAR-TRE-7f7bb9f0-74
0.768
MAR-TRE-7f7bb9f0-90
0.689
MAK-UNK-a7b37c5e-5
0.567
ISA-SCH-8e98219b-1
0.542
MAR-TRE-67513f76-81
0.491
MAK-UNK-ca11b4f7-1
0.474
JOH-IMS-62aeb97d-5
0.474
SAN-PRS-52b81272-2
0.444
SAD-SAT-24589cd1-4
0.438
ALE-HEI-f28a35b5-14
0.429
KEI-TRE-d5e2018a-95
0.422
MAR-TRE-d0525fbf-92
0.422
MED-UNK-e6e8ef8a-3
0.420
MAR-TRE-3e4e6814-66
0.412
MAK-UNK-c749d764-17
0.412
MAK-UNK-a7b37c5e-1
0.412
MAK-UNK-a7b37c5e-4
0.409
WIL-UNI-5578df48-1
0.408
MAK-UNK-ca11b4f7-3
0.407
EDG-MED-0da5ad92-2
0.406
DAR-DIA-842b4336-12
0.406
AUS-ARG-7cfdce8f-11
0.403
MAR-TRE-2fd8122f-52
0.402
MED-UNK-e6e8ef8a-2
0.400
FRA-FAC-9ed5a63a-2
0.400
MAR-TRE-2fd8122f-84
0.398
WIL-UNI-5578df48-15
0.397
DAR-DIA-842b4336-10
0.397
MAK-UNK-c749d764-27
0.394
MAR-TRE-7f7bb9f0-58
0.393
MAR-TRE-2fd8122f-45
0.392
DAR-DIA-23aa0b97-16
0.391
ALE-HEI-f28a35b5-9
0.391
FRA-FAC-9ed5a63a-1
0.391
AAR-POS-d2a4d1df-13
0.391
MAR-TRE-67513f76-93
0.389
MAK-UNK-d1e89583-1
0.388
MAK-UNK-c749d764-13
0.387
ALE-HEI-f28a35b5-5
0.386
DAR-DIA-842b4336-11
0.386
MED-UNK-e6e8ef8a-5
0.386
MED-UNK-e6e8ef8a-6
0.386
DAR-DIA-842b4336-13
0.386
KEI-TRE-d5e2018a-62
0.384
MAR-TRE-2fd8122f-57
0.384
MAK-UNK-ca11b4f7-2
0.383
JOH-UNK-14e6adc5-2
0.382
ANN-UNI-26382800-3
0.382
AAR-POS-d2a4d1df-11
0.381
KEI-TRE-d5e2018a-1
0.380
DAR-DIA-842b4336-16
0.380
MAK-UNK-a7b37c5e-2
0.380
KEI-TRE-d5e2018a-55
0.380
MAR-TRE-7f7bb9f0-46
0.378
ANN-UNI-26382800-5
0.378
KAL-WAB-eb347ebe-1
0.378
DAR-DIA-23aa0b97-17
0.378
MAR-TRE-f6f5f473-79
0.378
MAR-TRE-74c6519b-54
0.377
MAR-TRE-3e4e6814-62
0.377
KEI-TRE-d5e2018a-42
0.377
CHR-SOS-f7373dd1-5
0.375
MAR-TRE-7f7bb9f0-49
0.375
WIL-UNI-1faa9b10-8
0.375
MAR-TRE-04c86cea-35
0.373
CHA-MCP-85291e1d-2
0.373
MED-UNK-e6e8ef8a-4
0.370
DAR-DIA-842b4336-14
0.370
MAR-TRE-4b834d9a-42
0.369
MAR-TRE-2fd8122f-10
0.369
WIL-UNI-5578df48-14
0.368
MAK-UNK-c749d764-14
0.368
CHA-MCP-85291e1d-5
0.368
MAR-TRE-2fd8122f-27
0.368
KEI-TRE-d5e2018a-45
0.367
MAR-TRE-2fd8122f-2
0.367
CHR-SOS-70e4c98a-6
0.365
MAR-TRE-d0525fbf-91
0.365
CHR-SOS-f7373dd1-2
0.365
MAR-TRE-2fd8122f-78
0.365
MAR-TRE-74c6519b-91
0.364
ALE-HEI-f28a35b5-15
0.364
MAR-TRE-2fd8122f-99
0.364
WIL-UNI-5578df48-18
0.362
CHR-SOS-70e4c98a-7
0.361
KEI-TRE-d5e2018a-4
0.361
CHR-SOS-59746812-2
0.360
MAR-TRE-74c6519b-47
0.360
MAR-TRE-67513f76-73
0.360
CHR-SOS-f7373dd1-4
0.360
DAR-DIA-842b4336-15
0.360
MAR-TRE-3e4e6814-67
0.359
KEI-TRE-d5e2018a-44
0.359
CHA-MCP-85291e1d-4
0.359
MAR-TRE-b77b7921-91
0.359
MAR-TRE-6c5ef77a-66
0.359
MAK-UNK-c749d764-23
0.359
MAR-TRE-a3327163-54
0.358
MAR-TRE-74c6519b-42
0.358
MAR-TRE-b77b7921-53
0.358