Molecular Properties | |
SMILES: | CN(C(=O)c1ccc(=O)[nH]n1)c1c(Cc2cccc(Cl)c2)nc(C(=O)CCl)n1C |
MW: | 433.07 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 100.95 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-4
0.632
DAR-DIA-bd041b9b-20
0.622
DAR-DIA-bd041b9b-18
0.581
DAR-DIA-bd041b9b-16
0.480
DAR-DIA-bd041b9b-28
0.475
DAR-DIA-bd041b9b-3
0.413
DAR-DIA-bd041b9b-19
0.390
DAR-DIA-bd041b9b-10
0.364
DAR-DIA-bd041b9b-27
0.330
DAR-DIA-bd041b9b-22
0.325
DAR-DIA-bd041b9b-5
0.316
DAR-DIA-bd041b9b-29
0.306
VLA-UNK-0ffe3317-6
0.301
DAR-DIA-bd041b9b-17
0.295
DAR-DIA-bd041b9b-2
0.286
EDJ-MED-49816e9b-5
0.278
ALP-POS-305f6ec3-28
0.278
EDJ-MED-c8e7a002-5
0.275
MIC-UNK-67d4a29a-3
0.271
HYO-UNK-49a60884-1
0.269
JOH-UNI-0e1753c1-3
0.269
AAR-POS-d2a4d1df-35
0.269
MED-COV-4280ac29-15
0.269
VLA-UNK-411a133b-1
0.268
SEA-TRI-9e600f3c-1
0.266
MIC-UNK-67d4a29a-4
0.266
DAR-DIA-bd041b9b-15
0.266
JOH-UNI-0e1753c1-1
0.265
MIC-UNK-67d4a29a-1
0.264
JOH-UNI-23d9e1b1-1
0.263
DAR-DIA-bd041b9b-9
0.263
DAR-DIA-bd041b9b-32
0.262
JOH-UNI-61f30276-1
0.262
DAR-DIA-bd041b9b-12
0.262
MED-COV-4280ac29-13
0.260
EDJ-MED-c8e7a002-6
0.259
MAT-POS-90fd5f68-3
0.259
VLA-UNK-411a133b-2
0.258
DAR-DIA-bd041b9b-25
0.257
DAR-DIA-bd041b9b-8
0.257
MIC-UNK-67d4a29a-2
0.257
JOH-UNI-0e1753c1-2
0.255
PET-UNK-8df914d1-4
0.255
JAN-GHE-5a013bed-4
0.255
EDG-MED-0da5ad92-21
0.255
JAG-UCB-a3ef7265-15
0.255
PET-UNK-f92d7c0c-7
0.255
PET-UNK-158bee2a-2
0.253
EDJ-MED-49816e9b-3
0.253
JOH-UNI-3fc3434e-13
0.252
JOH-UNI-ee5ed7c8-13
0.252
MAT-POS-0bc33984-2
0.250
PET-UNK-e274cad4-1
0.250
PET-UNK-f92d7c0c-3
0.250
MAK-UNK-6ca90168-13
0.250
RUB-POS-1325a9ea-14
0.250
JAN-GHE-82a280f8-2
0.248
MIC-UNK-42806bd5-1
0.247
ALP-POS-90e38439-2
0.247
MAT-POS-500ca5bf-2
0.247
JAN-GHE-5a013bed-5
0.247
DAR-DIA-43a5904b-17
0.246
BAR-COM-ebf5acce-1
0.245
EDJ-MED-6e43a462-13
0.245
NAU-LAT-a5c7d7cb-11
0.245
EDJ-MED-c8e7a002-13
0.245
DAN-LON-a5fc619e-2
0.245
JAN-GHE-83b26c96-15
0.245
EDG-MED-0da5ad92-1
0.245
MIC-UNK-42806bd5-2
0.245
ALP-POS-90e38439-3
0.245
ALP-POS-8b8a49e1-5
0.245
JOH-UNI-3fc3434e-5
0.243
JOH-UNI-ee5ed7c8-5
0.243
PET-UNK-bbe8d7ff-1
0.243
VLA-UNK-4cf5aa07-2
0.243
DAR-DIA-bd041b9b-11
0.242
JAG-UCB-a3ef7265-17
0.242
NAU-LAT-e1818702-7
0.242
JUL-TUD-06b2044f-43
0.241
EDJ-MED-6e43a462-10
0.241
EDJ-MED-b24713dc-3
0.241
MAT-POS-bb423b95-7
0.241
ALP-POS-cd485364-1
0.241
EDJ-MED-c8e7a002-2
0.241
MIC-UNK-d935700b-1
0.240
MAT-POS-90fd5f68-2
0.239
KRI-MAR-d2e3ef86-9
0.239
EDJ-MED-6e43a462-12
0.239
DAN-LON-a5fc619e-4
0.238
EDJ-MED-c8e7a002-11
0.238
NAU-LAT-a5c7d7cb-10
0.238
MAR-TRE-f6f5f473-96
0.238
DAV-CRI-3edb475e-5
0.237
JOH-UNI-3fc3434e-9
0.237
DAR-DIA-076fb6ea-15
0.237
JOH-UNI-ee5ed7c8-9
0.237
VLA-UCB-05e51b3f-17
0.236
EDJ-MED-c8e7a002-3
0.236
MAT-POS-90fd5f68-38
0.236