Molecular Properties | |
SMILES: | C=CS(=O)(=O)CN(C(=O)Nc1cccc(Cl)c1)c1cncnc1 |
MW: | 352.803 |
Fraction sp3: | 0.07 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 92.26 |
cLogP: | 2.6843 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (3)
Filter10_Terminal_vinyl
Filter88_ene_sulfone
AAR-POS-d2a4d1df-11
SEA-TRI-2dd971ce-1
0.691
SEA-TRI-6388eba6-1
0.614
JAN-GHE-d851b096-3
0.380
MIC-UNK-66895286-3
0.372
JOR-UNI-2fc98d0b-7
0.365
DAR-DIA-23aa0b97-14
0.365
WAR-XCH-eb7b662f-7
0.365
JAN-GHE-83b26c96-19
0.365
MIC-UNK-66895286-2
0.364
BEN-DND-61647d40-20
0.359
TRY-UNI-714a760b-9
0.358
JAN-LUN-8953ce76-6
0.353
JAN-LUN-3e0f9c09-1
0.353
DAR-DIA-23aa0b97-13
0.351
EDJ-MED-49816e9b-1
0.350
AAR-UNI-c25c2f1e-46
0.346
JAN-GHE-5a013bed-9
0.342
MIC-UNK-66895286-4
0.341
JAN-GHE-d851b096-9
0.340
JAG-UCB-cedd89ab-8
0.338
TRY-UNI-714a760b-12
0.338
SEA-TRI-04ff6e57-1
0.337
JAN-GHE-d851b096-4
0.330
JOR-UNI-2fc98d0b-2
0.330
JOR-UNI-2fc98d0b-8
0.330
JAN-GHE-d851b096-2
0.330
BEN-DND-61647d40-19
0.329
ERI-UCB-ce40166b-23
0.326
BEN-DND-61647d40-15
0.326
JOR-UNI-2fc98d0b-6
0.323
SEA-TRI-f62e8c25-1
0.322
PET-UNK-8922bd3c-1
0.322
JAG-UCB-cedd89ab-6
0.322
BEN-DND-61647d40-16
0.322
MAR-TRE-8190bb11-4
0.318
TRY-UNI-9f475305-11
0.318
JAG-UCB-252a2f58-1
0.317
JOR-UNI-2fc98d0b-1
0.316
JOR-UNI-2fc98d0b-4
0.316
BEN-DND-02317c5c-11
0.314
BEN-DND-61647d40-11
0.314
JIN-POS-6dc588a4-1
0.314
BEN-DND-61647d40-13
0.314
MAR-TRE-799db12b-27
0.310
JAG-UCB-cedd89ab-7
0.310
MIC-UNK-66895286-5
0.310
MAT-POS-bfb445d4-1
0.310
BEN-DND-02317c5c-12
0.310
BEN-DND-61647d40-12
0.310
MAT-POS-3b92565d-14
0.310
JOR-UNI-2fc98d0b-10
0.309
JAG-UCB-ef2c0e8e-10
0.309
JOR-UNI-2fc98d0b-16
0.309
EDG-MED-0da5ad92-20
0.309
MAR-TRE-3e4e6814-83
0.308
MAR-TRE-9d18ae8c-77
0.308
DAR-DIA-23aa0b97-12
0.307
JOR-UNI-2fc98d0b-12
0.305
JOR-UNI-2fc98d0b-17
0.302
JOR-UNI-2fc98d0b-5
0.302
JOR-UNI-2fc98d0b-3
0.302
JOR-UNI-2fc98d0b-11
0.302
JOR-UNI-2fc98d0b-9
0.301
MAR-TRE-66ac689e-65
0.300
KEI-TRE-d5e2018a-19
0.300
MAR-TRE-4f781e27-43
0.298
MAR-TRE-d0525fbf-58
0.297
JOR-UNI-2fc98d0b-14
0.296
JOR-UNI-2fc98d0b-13
0.296
MAR-TRE-66ac689e-92
0.295
BAR-COM-4e090d3a-11
0.295
SAD-SAT-24589cd1-2
0.294
SIM-SYN-a98e6a07-3
0.293
MAR-TRE-8190bb11-59
0.293
MAR-TRE-66ac689e-76
0.292
MAR-TRE-9d18ae8c-82
0.290
KEI-TRE-d5e2018a-16
0.290
JAN-GHE-d851b096-1
0.290
JOR-UNI-2fc98d0b-15
0.290
MAR-TRE-f5c2d31c-36
0.290
BEN-DND-61647d40-14
0.289
MIC-UNK-bcd487e9-1
0.289
MAR-TRE-4f781e27-49
0.287
ALP-POS-f13221e1-4
0.287
ABB-MCD-f549d731-1
0.287
MAR-TRE-799db12b-86
0.286
ADA-UNI-f8e79267-8
0.284
MAR-TRE-92684b97-89
0.284
EDG-MED-0da5ad92-2
0.284
NIM-UNI-6eebfcd4-1
0.283
NAU-LAT-4ce8bf23-1
0.283
MAR-TRE-799db12b-25
0.283
JOH-UNI-c7afdb96-5
0.282
EDG-MED-0da5ad92-3
0.282
EDG-MED-0da5ad92-19
0.282
NAU-LAT-4ce8bf23-3
0.281
BEN-DND-1e24cf73-1
0.281
MAR-TRE-799db12b-16
0.281
MAR-TRE-a9136c7b-76
0.280
MAR-TRE-799db12b-37
0.280