Molecular Properties | |
SMILES: | C[S+]([O-])CC1(CC(=O)Nc2cccc(Cl)c2)C(=O)Nc2ccccc21 |
MW: | 376.06 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 81.26 |
cLogP: | 2.94 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Long aliphatic chain
Tri_Pentavalent_S
MIC-UNK-10ba69b4-2
0.662
MIC-UNK-10ba69b4-3
0.654
MIC-UNK-10ba69b4-1
0.627
MIC-UNK-8373f97b-1
0.518
MIC-UNK-8373f97b-2
0.380
MIC-UNK-66895286-2
0.373
MIC-UNK-66895286-3
0.365
EDJ-MED-49816e9b-1
0.345
MIC-UNK-66895286-4
0.337
MIC-UNK-66895286-5
0.337
BEN-DND-61647d40-14
0.330
TRY-UNI-9f475305-11
0.330
BEN-DND-61647d40-11
0.326
RUB-POS-1325a9ea-24
0.326
AAR-UNI-c25c2f1e-46
0.326
BEN-DND-02317c5c-12
0.323
MAT-POS-bfb445d4-1
0.323
MAT-POS-3b92565d-14
0.323
BEN-DND-61647d40-12
0.323
BEN-DND-61647d40-15
0.323
BEN-DND-61647d40-16
0.319
DAR-DIA-23aa0b97-12
0.319
PET-UNK-8922bd3c-1
0.319
JAG-UCB-252a2f58-1
0.315
BEN-DND-02317c5c-11
0.312
JIN-POS-6dc588a4-1
0.312
BEN-DND-61647d40-13
0.312
RUB-POS-1325a9ea-23
0.309
ALP-POS-90e38439-1
0.309
NAU-LAT-a5c7d7cb-13
0.309
VLA-UCB-1dbca3b4-1
0.309
JAG-UCB-ef2c0e8e-10
0.307
JAG-UCB-77729364-1
0.304
NAU-LAT-a5c7d7cb-14
0.302
ROB-UNI-daaf9793-2
0.302
MAT-POS-0bc33984-2
0.300
JOH-UNI-c7afdb96-5
0.297
AAR-POS-fca48359-9
0.295
FAR-UNI-736b943a-7
0.295
RIT-AID-d1f3f5d2-1
0.291
TRY-UNI-714a760b-12
0.289
JAG-UCB-cedd89ab-8
0.289
JAN-GHE-d851b096-9
0.286
MAR-TRE-d0525fbf-58
0.284
DAR-DIA-23aa0b97-13
0.284
CHR-SOS-7098f804-8
0.280
TRY-UNI-714a760b-9
0.280
AAR-UNI-c25c2f1e-78
0.280
JOR-UNI-2fc98d0b-7
0.279
JAN-GHE-83b26c96-19
0.279
DAR-DIA-23aa0b97-14
0.279
WAR-XCH-eb7b662f-7
0.279
JAN-LUN-3e0f9c09-1
0.278
JAN-LUN-8953ce76-6
0.278
MAR-TRE-74c6519b-62
0.278
JAN-GHE-d851b096-4
0.278
BEN-DND-61647d40-20
0.278
MAR-TRE-3e4e6814-40
0.277
JAN-GHE-5a013bed-9
0.276
EDJ-MED-c8e7a002-16
0.276
JOH-UNI-c7afdb96-4
0.275
RUB-POS-1325a9ea-15
0.273
JAN-GHE-d851b096-2
0.273
MAR-TRE-3e4e6814-83
0.272
SEA-TRI-6388eba6-1
0.271
EDJ-MED-c8e7a002-11
0.271
NAU-LAT-a5c7d7cb-10
0.271
MAR-TRE-66ac689e-35
0.271
JAN-GHE-f4ca5a00-17
0.271
BEN-VAN-ed886787-18
0.270
MIC-UNK-66895286-1
0.270
MAT-POS-500ca5bf-2
0.270
ALP-POS-90e38439-2
0.270
MIC-UNK-42806bd5-1
0.270
EDG-MED-0da5ad92-2
0.270
BEN-DND-61647d40-19
0.269
SEA-TRI-5a552082-1
0.268
MAT-POS-4211dce8-1
0.268
VLA-UNK-411a133b-2
0.267
ALP-POS-8b8a49e1-5
0.267
ALP-POS-90e38439-3
0.267
MIC-UNK-42806bd5-2
0.267
MIC-UNK-fc94cdb5-1
0.267
ROB-UNI-daaf9793-3
0.265
SEA-TRI-2dd971ce-1
0.265
EDG-MED-0da5ad92-13
0.264
EDG-MED-0da5ad92-21
0.264
VLA-UNK-411a133b-1
0.264
JAG-UCB-a3ef7265-15
0.264
RUB-POS-1325a9ea-6
0.263
PET-UNK-158bee2a-2
0.261
EDG-MED-0da5ad92-12
0.261
RUB-POS-1325a9ea-7
0.260
RUB-POS-1325a9ea-21
0.260
NAU-LAT-4ce8bf23-1
0.259
MAT-POS-bb423b95-6
0.258
RAL-MED-2de63afb-6
0.258
JIN-POS-6dc588a4-19
0.258
JOH-UNI-6fede743-3
0.258
EDJ-MED-6e43a462-12
0.257