Molecular Properties | |
SMILES: | Cc1c(C(=O)CCl)cc(Cc2cccc(Cl)c2)n1N(C)C(=O)c1ccc(=O)[nH]n1 |
MW: | 432.08 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.06 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-5
0.638
DAR-DIA-bd041b9b-17
0.611
DAR-DIA-bd041b9b-21
0.480
DAR-DIA-bd041b9b-18
0.413
DAR-DIA-bd041b9b-28
0.404
DAR-DIA-bd041b9b-2
0.404
DAR-DIA-bd041b9b-12
0.344
DAR-DIA-bd041b9b-15
0.339
DAR-DIA-bd041b9b-32
0.328
DAR-DIA-bd041b9b-4
0.325
DAR-DIA-bd041b9b-20
0.304
SEA-TRI-146a67b6-1
0.290
DAR-DIA-bd041b9b-3
0.283
HYO-UNK-49a60884-1
0.283
JOH-UNI-0e1753c1-3
0.283
AAR-POS-d2a4d1df-35
0.283
MED-COV-4280ac29-15
0.283
JOH-UNI-0e1753c1-1
0.278
EDJ-MED-49816e9b-5
0.278
ALP-POS-305f6ec3-28
0.278
SEA-TRI-9e600f3c-1
0.278
JOH-UNI-23d9e1b1-1
0.277
DAR-DIA-bd041b9b-27
0.275
MAR-TRE-4b834d9a-22
0.274
EDJ-MED-c8e7a002-6
0.271
JAN-GHE-5a013bed-1
0.271
DAR-DIA-bd041b9b-19
0.270
DAR-DIA-bd041b9b-10
0.269
JOH-UNI-0e1753c1-2
0.269
JAN-GHE-5a013bed-4
0.268
ERI-UCB-a0b0dbcb-12
0.268
PET-UNK-bbe8d7ff-2
0.267
ALP-POS-95b75b4d-11
0.267
JAN-GHE-5a013bed-9
0.266
MAR-TRE-4b834d9a-12
0.265
MIC-UNK-d935700b-1
0.265
MAK-UNK-6ca90168-13
0.263
JOH-UNI-61f30276-1
0.262
JAN-GHE-5a013bed-5
0.261
DAR-DIA-bd041b9b-29
0.261
MIC-UNK-42806bd5-1
0.260
ALP-POS-90e38439-2
0.260
MAT-POS-500ca5bf-2
0.260
JAN-GHE-5a013bed-11
0.260
MIC-UNK-4c7b8ba7-1
0.260
ALP-POS-8b8a49e1-8
0.260
VLA-UCB-1dbca3b4-2
0.260
MAR-TRE-4b834d9a-10
0.258
MAR-TRE-f6f5f473-96
0.258
VLA-UNK-411a133b-2
0.258
ALP-POS-90e38439-3
0.258
MIC-UNK-42806bd5-2
0.258
ALP-POS-8b8a49e1-5
0.258
MAT-POS-0bc33984-1
0.257
EDG-MED-0da5ad92-1
0.257
JAN-GHE-83b26c96-15
0.257
BAR-COM-ebf5acce-1
0.257
MAR-TRE-d0525fbf-6
0.256
EDG-MED-0da5ad92-21
0.255
EDJ-MED-c8e7a002-16
0.255
PET-UNK-bbe8d7ff-1
0.255
MAR-TRE-b77b7921-8
0.254
PET-UNK-158bee2a-2
0.253
EDJ-MED-49816e9b-3
0.253
EDJ-MED-c8e7a002-15
0.252
DAR-DIA-076fb6ea-16
0.252
VLA-UNK-0ffe3317-6
0.252
BAR-COM-ebf5acce-5
0.252
ALP-POS-ddb41b15-9
0.252
JOH-UNI-6fede743-3
0.250
JIN-POS-6dc588a4-19
0.250
MAT-POS-0bc33984-2
0.250
NAU-LAT-a5c7d7cb-10
0.250
EDJ-MED-c8e7a002-11
0.250
MAR-TRE-f6f5f473-93
0.250
MAT-POS-bb423b95-6
0.250
EDG-MED-0da5ad92-15
0.250
JAN-GHE-82a280f8-2
0.248
MIC-UNK-67d4a29a-3
0.248
VLA-UNK-dc1d9354-1
0.248
MAT-POS-4211dce8-1
0.248
MED-COV-4280ac29-13
0.248
MIC-UNK-66895286-1
0.247
DAR-DIA-bd041b9b-7
0.246
EDJ-MED-6e43a462-13
0.245
BAR-COM-ebf5acce-3
0.245
SAD-SAT-c989feaa-3
0.245
NAU-LAT-a5c7d7cb-11
0.245
DAR-DIA-bd041b9b-25
0.245
JOH-UNI-3fc3434e-5
0.243
JOH-UNI-ee5ed7c8-5
0.243
MIC-UNK-d935700b-2
0.243
EDJ-MED-c8e7a002-9
0.243
MAT-POS-199e2e7c-2
0.243
TRY-UNI-1fd04853-5
0.243
ALP-POS-91609ae9-1
0.243
VLA-UNK-4cf5aa07-2
0.243
JAN-GHE-83b26c96-16
0.243
EDG-MED-0da5ad92-13
0.242
VLA-UNK-411a133b-1
0.242