Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1 |
MW: | 288.09 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.05 |
cLogP: | 2.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
ALP-POS-95b75b4d-2
0.636
EDJ-MED-e58735b6-2
0.636
JAN-GHE-83b26c96-13
0.636
TRY-UNI-714a760b-6
0.636
ALP-POS-95b75b4d-1
0.627
JAN-GHE-83b26c96-12
0.627
TRY-UNI-714a760b-5
0.619
EDJ-MED-e58735b6-1
0.609
DAR-DIA-0cde14eb-76
0.600
JAN-GHE-83b26c96-14
0.600
ALP-POS-95b75b4d-3
0.600
ANN-UNI-98d2bf15-2
0.600
DAR-DIA-0cde14eb-1
0.597
TRY-UNI-714a760b-20
0.592
DAR-DIA-0cde14eb-2
0.589
DAR-DIA-0cde14eb-79
0.583
EDJ-MED-e58735b6-3
0.583
DAR-DIA-0cde14eb-4
0.581
DAR-DIA-0cde14eb-3
0.581
ALP-POS-95b75b4d-4
0.575
ANN-UNI-98d2bf15-5
0.575
DAR-DIA-0cde14eb-77
0.560
DAR-DIA-0cde14eb-14
0.558
EDJ-MED-e58735b6-4
0.545
SAD-SAT-7d5528d9-1
0.532
BRU-LEF-c49414a7-1
0.525
RAL-THA-901e9a10-7
0.525
JAN-GHE-83b26c96-11
0.522
EDG-MED-0da5ad92-8
0.507
TRY-UNI-2eddb1ff-2
0.507
VLA-UCB-00f2c2b3-1
0.500
MIH-UNI-6b9ca91a-1
0.500
GAB-REV-70cc3ca5-20
0.500
GAB-REV-70cc3ca5-18
0.494
EDJ-MED-c9f55a56-1
0.493
VLA-UCB-00f2c2b3-2
0.487
DAR-DIA-0cde14eb-64
0.474
ALP-POS-f13221e1-4
0.474
TRY-UNI-2eddb1ff-1
0.474
MAT-POS-590ac91e-6
0.471
MAK-UNK-6ca90168-26
0.469
DAR-DIA-0cde14eb-62
0.468
BEN-DND-93268d01-6
0.468
JOH-UNI-abfda500-6
0.466
ANN-UNI-98d2bf15-1
0.466
MAT-POS-c9973a83-1
0.462
RAL-THA-6b94ceba-6
0.462
ALE-HEI-f28a35b5-3
0.458
RAL-THA-6b94ceba-14
0.457
DAR-DIA-0cde14eb-61
0.456
RAL-THA-6b94ceba-7
0.450
RAL-THA-6b94ceba-13
0.450
DAR-DIA-0cde14eb-63
0.450
ALE-HEI-f28a35b5-12
0.449
DAR-DIA-23e5a6a0-29
0.448
ASH-SAT-43770c7d-9
0.448
GAB-REV-70cc3ca5-13
0.447
RAL-THA-6b94ceba-5
0.444
THO-SYG-cc9e9a11-2
0.444
GAB-REV-70cc3ca5-23
0.444
RAL-THA-6b94ceba-15
0.444
MAT-POS-e501d84c-1
0.440
EDG-MED-0da5ad92-6
0.440
RAL-THA-6b94ceba-12
0.439
RAL-THA-6b94ceba-16
0.439
WIL-MOD-03b86a88-3
0.439
WIL-MOD-03b86a88-5
0.439
GAB-REV-70cc3ca5-21
0.438
DAR-DIA-23e5a6a0-25
0.438
DAR-DIA-23e5a6a0-23
0.438
RAL-THA-6b94ceba-8
0.434
DAR-DIA-0cde14eb-74
0.434
WIL-MOD-03b86a88-6
0.434
NAU-LAT-0543f7f2-7
0.434
MAT-POS-590ac91e-10
0.432
MAT-POS-590ac91e-24
0.432
ALE-HEI-f28a35b5-10
0.432
RAL-THA-901e9a10-8
0.432
PET-SGC-6e7c5dc0-1
0.431
NAU-LAT-0543f7f2-5
0.430
RAL-THA-6b94ceba-9
0.429
JOH-UNI-abfda500-4
0.429
MAT-POS-590ac91e-11
0.429
ADA-UCB-6c2cb422-4
0.429
WIL-MOD-03b86a88-2
0.429
NAU-LAT-0543f7f2-6
0.429
DAR-DIA-23e5a6a0-30
0.427
RAL-THA-901e9a10-1
0.425
MAT-POS-590ac91e-9
0.425
RAL-THA-6b94ceba-11
0.424
BAR-COM-0f94fc3d-28
0.424
BEN-DND-93268d01-7
0.423
TRY-UNI-1fd04853-1
0.422
PET-SGC-175e168c-1
0.422
BEN-DND-93268d01-13
0.421
BEN-DND-93268d01-5
0.421
DAR-DIA-0cde14eb-16
0.420
AAR-POS-d2a4d1df-3
0.419
MAT-POS-f42f3716-8
0.419
MAK-UNK-6435e6c2-8
0.419