Molecular Properties | |
SMILES: | CNC(=O)C(CCN1CCN(C(=O)CCl)CC1)Nc1ccsc1 |
MW: | 358.895 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 64.68 |
cLogP: | 1.0477 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
MED-COV-dea4df70-1
0.667
MAK-UNK-e4a48a85-1
0.487
MAK-UNK-212f693e-13
0.458
LON-WEI-8f408cad-7
0.443
MAK-UNK-212f693e-8
0.443
AAR-POS-0daf6b7e-13
0.443
NIM-UNI-ed9fc491-2
0.424
AAR-POS-0daf6b7e-17
0.397
LON-WEI-8f408cad-5
0.397
MAK-UNK-e4a48a85-21
0.395
NIM-UNI-ed9fc491-1
0.379
MAK-UNK-6ca90168-20
0.375
MAK-UNK-212f693e-9
0.373
MAT-POS-ee51dedd-2
0.373
MAK-UNK-e4a48a85-24
0.370
MAK-UNK-212f693e-19
0.368
MAK-UNK-212f693e-32
0.368
MAK-UNK-e4a48a85-20
0.368
STE-UNK-13e151dd-1
0.365
SAD-SAT-bc31ec01-1
0.360
MAK-UNK-212f693e-14
0.356
MAK-UNK-e4a48a85-23
0.355
AAR-POS-0daf6b7e-21
0.355
MAK-UNK-e4a48a85-13
0.354
MAK-UNK-212f693e-33
0.351
STE-KUL-2e0d2e88-1
0.350
MAK-UNK-e4a48a85-22
0.348
MAK-UNK-212f693e-5
0.347
MAK-UNK-6435e6c2-3
0.347
MAK-UNK-15efde89-1
0.346
DAV-CRI-d1e0885a-1
0.346
AAR-POS-0daf6b7e-2
0.342
MAR-TRE-6a44bbf2-12
0.342
MAK-UNK-90d0606b-1
0.341
MAK-UNK-176ca439-2
0.340
JOH-UNI-27ac80fd-23
0.338
AAR-POS-0daf6b7e-12
0.338
DAV-CRI-d1e0885a-6
0.337
MAK-UNK-e4a48a85-25
0.337
MAK-UNK-212f693e-7
0.333
MAR-TRE-6a44bbf2-47
0.333
MAK-UNK-7c9d1431-20
0.333
MAK-UNK-e4a48a85-8
0.330
NIM-UNI-ed9fc491-4
0.330
TAM-UNI-d1c3dd9f-20
0.330
TAM-UNI-d1c3dd9f-17
0.330
TAM-UNI-d1c3dd9f-18
0.330
NAU-LAT-64f4b287-3
0.330
STE-KUL-2e0d2e88-3
0.329
PAU-UNI-b2b6b158-1
0.329
NEH-REV-107bcf72-5
0.329
ASH-SAT-43770c7d-5
0.329
SAD-SAT-5b1897b2-2
0.329
MAK-UNK-212f693e-20
0.329
DRR-IMP-38dce17f-3
0.329
MAK-UNK-7c9d1431-24
0.329
MAK-UNK-704ed37c-12
0.328
MAK-UNK-6ca90168-22
0.325
MAK-UNK-6ca90168-14
0.325
DRR-IMP-38dce17f-7
0.325
MAK-UNK-7c9d1431-29
0.324
TAM-UNI-d1c3dd9f-16
0.322
SEL-UNI-cd366922-6
0.321
MAK-UNK-af83ef51-1
0.321
MAR-LAB-ca4662a6-2
0.321
DRR-IMP-38dce17f-4
0.321
DRR-IMP-38dce17f-6
0.320
PAU-UNI-52c0427f-1
0.318
DAR-DIA-fb20be43-4
0.318
BRU-LEF-ae0885ba-1
0.318
DAV-CRI-d1e0885a-4
0.318
MAR-TRE-6a44bbf2-27
0.318
JOK-SYG-18591e8f-1
0.317
AAR-POS-d2a4d1df-24
0.316
SAD-SAT-581007d4-7
0.316
AHN-SAT-de2502ba-14
0.316
SAD-SAT-65574d3f-1
0.316
MAT-POS-2db6411e-2
0.316
MAK-UNK-849bee6c-18
0.316
MAK-UNK-af83ef51-31
0.316
STE-KUL-2e0d2e88-2
0.315
MED-COV-4280ac29-25
0.315
JOH-UNI-27ac80fd-38
0.314
TAT-ENA-80bfd3e5-30
0.313
NIR-THE-0d6461ce-1
0.313
MAK-UNK-212f693e-10
0.312
DRR-IMP-38dce17f-1
0.312
MED-COV-4280ac29-24
0.311
NIR-THE-b7e8e081-2
0.310
BEN-DND-6de5dfa0-16
0.310
MED-COV-4280ac29-33
0.310
MED-COV-4280ac29-31
0.310
AAR-POS-d2a4d1df-40
0.310
NIM-UNI-ed9fc491-3
0.309
SAD-SAT-6b5a89f0-10
0.309
MAR-TRE-6a44bbf2-77
0.309
MAK-UNK-902cc841-1
0.309
DRR-IMP-38dce17f-5
0.308
MAK-UNK-7c9d1431-28
0.308
MED-COV-4280ac29-37
0.307