Molecular Properties | |
SMILES: | CN(C(=O)c1cccnc1)c1c(Cc2cccc(Cl)c2)nc(C(=O)CCl)n1C |
MW: | 416.08 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 68.09 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-21
0.622
DAR-DIA-bd041b9b-4
0.577
DAR-DIA-bd041b9b-19
0.565
DAR-DIA-bd041b9b-22
0.519
DAR-DIA-bd041b9b-17
0.474
DAR-DIA-bd041b9b-29
0.459
DAR-DIA-bd041b9b-18
0.408
DAR-DIA-bd041b9b-3
0.369
DAR-DIA-bd041b9b-11
0.350
JAN-GHE-83b26c96-16
0.326
DAR-DIA-bd041b9b-28
0.321
PET-UNK-e8c7a26f-2
0.309
EDG-MED-0da5ad92-2
0.308
DAR-DIA-bd041b9b-16
0.304
RYA-UNI-f4a878f6-1
0.304
MIC-UNK-5ce21166-1
0.303
DAR-DIA-43a5904b-17
0.303
JAN-GHE-83b26c96-15
0.302
EDG-MED-0da5ad92-1
0.302
BEN-DND-61647d40-20
0.301
DAR-DIA-43a5904b-14
0.301
DAR-DIA-43a5904b-13
0.300
DAR-DIA-43a5904b-1
0.298
RYA-UNI-c3f66fb2-1
0.296
BAR-COM-ebf5acce-14
0.294
JOH-UNI-61f30276-1
0.293
DAR-DIA-43a5904b-15
0.292
DAR-DIA-bd041b9b-27
0.291
DAR-DIA-43a5904b-16
0.289
DAR-DIA-bd041b9b-5
0.288
PET-UNK-8df914d1-4
0.287
MAT-POS-90fd5f68-3
0.287
MED-COV-4280ac29-3
0.287
DAR-DIA-43a5904b-12
0.287
MIC-UNK-8686cf1d-9
0.286
MAK-UNK-10dfa458-35
0.286
BAR-COM-ebf5acce-3
0.286
CHR-SOS-7098f804-12
0.286
BAR-COM-ebf5acce-1
0.286
LON-WEI-2e27a2e5-2
0.284
PET-UNK-bbe8d7ff-1
0.284
NIM-UNI-b87c0f72-2
0.282
NIM-UNI-b87c0f72-1
0.282
ADA-UNI-f8e79267-11
0.282
DAR-DIA-076fb6ea-16
0.282
VLA-UNK-0ffe3317-6
0.282
NIM-NMI-8bb27a2b-14
0.281
ALP-POS-1245c3fa-2
0.276
ADA-UNI-f8e79267-10
0.276
MIC-UNK-67d4a29a-3
0.276
MAK-UNK-2c1752f0-1
0.274
MIC-UNK-67d4a29a-2
0.274
ERI-UCB-ce40166b-24
0.273
PET-UNK-bbe8d7ff-2
0.272
JIN-POS-6dc588a4-16
0.272
ALP-POS-95b75b4d-11
0.272
MIC-UNK-67d4a29a-4
0.271
BAR-COM-ebf5acce-15
0.271
RUB-POS-1325a9ea-19
0.270
MAT-POS-bb423b95-5
0.270
DAR-DIA-bd041b9b-30
0.270
ADA-UNI-f8e79267-12
0.269
MIC-UNK-67d4a29a-1
0.269
JOH-UNI-a38a7bdd-4
0.269
MAT-POS-bb423b95-7
0.269
TRY-UNI-714a760b-6
0.268
DAV-CRI-1c77f7a9-4
0.267
RUB-POS-1325a9ea-14
0.267
MAK-UNK-ec98eaf6-20
0.267
PET-UNK-e274cad4-1
0.267
EDJ-MED-6e43a462-12
0.267
NIM-NMI-8bb27a2b-27
0.267
MAT-POS-90fd5f68-2
0.266
ALP-POS-75715966-4
0.266
BAR-COM-ebf5acce-2
0.266
JAN-GHE-5a013bed-8
0.266
BAR-COM-ebf5acce-7
0.265
BEN-DND-1e24cf73-1
0.265
ALP-POS-76eab5ce-2
0.265
DAR-DIA-43a5904b-6
0.264
DAR-DIA-43a5904b-5
0.264
MAT-POS-90fd5f68-38
0.264
DAR-DIA-bd041b9b-1
0.264
DAR-DIA-bd041b9b-14
0.264
DAR-DIA-bd041b9b-31
0.264
MAT-POS-90fd5f68-21
0.264
BAR-COM-ebf5acce-10
0.264
BAR-COM-ebf5acce-11
0.263
ALP-POS-305f6ec3-15
0.263
JIN-POS-6dc588a4-6
0.262
PET-UNK-e274cad4-6
0.262
EDJ-MED-6e43a462-13
0.262
JOR-UNI-2fc98d0b-5
0.261
JOR-UNI-2fc98d0b-11
0.261
DAR-DIA-076fb6ea-13
0.261
ALP-POS-95b75b4d-8
0.260
EDG-MED-0da5ad92-13
0.260
JAG-UCB-a3ef7265-15
0.260
VLA-UNK-411a133b-1
0.260
SAM-UNK-2684b532-13
0.260