Molecular Properties | |
SMILES: | NC(CN1CCN(C(=O)CCl)CC1)C(=O)Nc1ccsc1 |
MW: | 330.841 |
Fraction sp3: | 0.54 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 78.67 |
cLogP: | 0.396900000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-e4a48a85-2
0.487
MAK-UNK-212f693e-13
0.471
MAK-UNK-212f693e-8
0.455
LON-WEI-8f408cad-7
0.455
AAR-POS-0daf6b7e-13
0.455
MAT-POS-ee51dedd-2
0.420
MAK-UNK-6ca90168-20
0.403
MAK-UNK-212f693e-33
0.394
SAD-SAT-bc31ec01-1
0.386
MAK-UNK-212f693e-9
0.380
SAD-SAT-6b5a89f0-10
0.377
MAK-UNK-212f693e-32
0.375
MAK-UNK-212f693e-19
0.375
MAR-TRE-6a44bbf2-47
0.373
MAK-UNK-212f693e-20
0.371
ASH-SAT-43770c7d-5
0.370
AAR-POS-0daf6b7e-2
0.366
LON-WEI-8f408cad-5
0.366
AAR-POS-0daf6b7e-17
0.366
MAR-TRE-6a44bbf2-12
0.365
JOH-UNI-27ac80fd-23
0.361
AAR-POS-0daf6b7e-12
0.361
MAK-UNK-e4a48a85-20
0.357
MAK-UNK-e4a48a85-21
0.353
DRR-IMP-38dce17f-3
0.353
MAK-UNK-7c9d1431-24
0.353
MAK-UNK-e4a48a85-22
0.352
DRR-IMP-38dce17f-1
0.352
DAV-CRI-d1e0885a-1
0.351
MAK-UNK-7c9d1431-29
0.348
NIM-UNI-ed9fc491-4
0.347
MAK-UNK-6ca90168-22
0.346
MAK-UNK-e4a48a85-24
0.344
MAK-UNK-e4a48a85-23
0.344
DRR-IMP-38dce17f-6
0.343
MAK-UNK-212f693e-14
0.343
MED-COV-dea4df70-1
0.341
DAV-CRI-d1e0885a-6
0.341
AAR-POS-0daf6b7e-21
0.339
AAR-POS-0daf6b7e-16
0.338
MAK-UNK-212f693e-7
0.338
MAK-UNK-7c9d1431-20
0.338
STE-KUL-2e0d2e88-1
0.338
MAR-TRE-6a44bbf2-27
0.338
NIM-UNI-ed9fc491-1
0.337
MAR-TRE-6a44bbf2-3
0.333
TAM-UNI-d1c3dd9f-18
0.333
NEH-REV-107bcf72-5
0.333
NIM-UNI-ed9fc491-2
0.333
MAK-UNK-212f693e-5
0.333
MAK-UNK-212f693e-10
0.333
MAK-UNK-704ed37c-11
0.333
AHN-SAT-de2502ba-7
0.333
SAD-SAT-5b1897b2-2
0.333
TAT-ENA-80bfd3e5-30
0.333
MAK-UNK-176ca439-2
0.330
DRR-IMP-38dce17f-7
0.329
DRR-IMP-38dce17f-5
0.329
MAK-UNK-7c9d1431-28
0.329
MAK-UNK-6ca90168-14
0.329
MAT-POS-162a9720-4
0.329
SAD-SAT-1b030f84-9
0.327
MAK-UNK-af83ef51-17
0.326
MAK-UNK-e4a48a85-25
0.326
TAM-UNI-d1c3dd9f-16
0.325
SEL-UNI-cd366922-6
0.325
MAR-LAB-ca4662a6-2
0.324
DRR-IMP-38dce17f-4
0.324
AAR-POS-d2a4d1df-35
0.324
MED-COV-4280ac29-15
0.324
MAR-TRE-6a44bbf2-52
0.324
LON-WEI-8f408cad-3
0.324
JOH-UNI-0e1753c1-3
0.324
AAR-POS-0daf6b7e-15
0.324
HYO-UNK-49a60884-1
0.324
AAR-POS-d2a4d1df-22
0.324
PAU-UNI-8cdd41c7-1
0.324
DRR-IMP-db50bf6e-1
0.324
TOB-UNK-c2aba166-1
0.323
STE-UNK-13e151dd-1
0.321
MIH-UNI-e573136b-5
0.321
JOK-SYG-18591e8f-1
0.321
MAK-UNK-e4a48a85-8
0.320
JIA-UNI-93b03cae-1
0.320
SAD-SAT-581007d4-7
0.320
AHN-SAT-de2502ba-14
0.320
AAR-POS-d2a4d1df-24
0.320
NIM-UNI-05f93fcc-1
0.320
MAT-POS-2db6411e-2
0.320
SAD-SAT-89668ff1-8
0.320
SAD-SAT-65574d3f-1
0.320
SAD-SAT-1b030f84-5
0.319
JOH-UNI-27ac80fd-25
0.319
NAU-LAT-64f4b287-3
0.318
MAK-UNK-987948f6-5
0.317
PAU-UNI-b2b6b158-1
0.317
STE-KUL-2e0d2e88-3
0.317
DRR-IMP-38dce17f-2
0.316
MAK-UNK-15efde89-1
0.316
MAK-UNK-6ca90168-10
0.315