Molecular Properties | |
SMILES: | CC1COc2ccc(Cl)cc2C1Cc1nc(C(=O)CCl)n(C)c1NC(=O)c1ccc(=O)[nH]n1 |
MW: | 489.1 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 118.97 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-9
0.712
DAR-DIA-bd041b9b-11
0.676
DAR-DIA-bd041b9b-12
0.560
DAR-DIA-bd041b9b-18
0.519
DAR-DIA-bd041b9b-22
0.500
DAR-DIA-bd041b9b-30
0.492
DAR-DIA-bd041b9b-8
0.469
DAR-DIA-bd041b9b-7
0.432
DAR-DIA-bd041b9b-28
0.405
DAR-DIA-bd041b9b-13
0.398
DAR-DIA-bd041b9b-34
0.390
DAR-DIA-bd041b9b-15
0.388
DAR-DIA-bd041b9b-1
0.372
DAR-DIA-bd041b9b-21
0.364
DAR-DIA-bd041b9b-3
0.346
DAR-DIA-bd041b9b-25
0.346
DAR-DIA-bd041b9b-19
0.315
DAR-DIA-bd041b9b-31
0.311
EDG-MED-fe7487f8-2
0.303
EDG-MED-4b32601a-1
0.303
EDJ-MED-e4b030d8-11
0.294
ADA-UCB-dc2b944c-14
0.294
ADA-UCB-dc2b944c-13
0.294
MAT-POS-8a69d52e-4
0.294
MAT-POS-8a69d52e-6
0.294
BRU-THA-01b12488-1
0.294
MAT-POS-8a69d52e-5
0.294
MAT-POS-8a69d52e-7
0.294
EDJ-MED-fb4b7746-4
0.290
EDG-MED-0e5afe9d-1
0.290
DAR-DIA-bd041b9b-6
0.290
DAR-DIA-5ff57136-1
0.286
DAR-DIA-5ff57136-2
0.286
PET-UNK-e274cad4-2
0.279
JAN-GHE-299e5c7e-5
0.279
JAG-UCB-c61058a9-3
0.279
JAG-UCB-c61058a9-14
0.275
ROB-UNI-569bc02e-4
0.275
JAG-UCB-52b62a6f-14
0.275
NAU-LAT-b7d8c353-4
0.273
BEN-DND-b89db3f2-2
0.273
ALP-POS-b3e0acc5-2
0.270
MAT-POS-a2421bb6-4
0.270
JAN-GHE-299e5c7e-4
0.269
MAT-POS-a2421bb6-2
0.269
DAR-DIA-bd041b9b-16
0.269
MAT-POS-afb6844f-3
0.268
ALP-POS-6495d03e-1
0.266
NAU-LAT-8502cac5-13
0.266
DAR-DIA-bd041b9b-4
0.265
ERI-UCB-b3e6b0c2-7
0.265
ERI-UCB-b3e6b0c2-15
0.265
ALP-POS-64a6e87e-1
0.264
PET-UNK-e274cad4-7
0.264
ADA-UCB-dc2b944c-15
0.264
DAR-DIA-0d514e7d-3
0.264
DAR-DIA-5ff57136-4
0.264
DAR-DIA-5ff57136-3
0.264
NAU-LAT-8502cac5-10
0.262
RAL-THA-3d7a794f-4
0.262
MAT-POS-afb6844f-2
0.262
ROB-UNI-569bc02e-3
0.262
JAG-UCB-c61058a9-2
0.262
KAD-UNI-8a629cb0-46
0.262
EDJ-MED-fb4b7746-3
0.262
EDG-MED-0e5afe9d-2
0.262
EDJ-MED-97c1bf5c-3
0.259
DAR-DIA-bd041b9b-27
0.259
ERI-UCB-b3e6b0c2-14
0.259
JOH-UNI-ea72002d-2
0.259
IND-SYN-6c8299e8-6
0.259
JAG-UCB-c61058a9-5
0.258
JAG-UCB-47403a7c-1
0.258
JAG-UCB-c61058a9-1
0.258
PET-UNK-b1ef24dc-8
0.258
MAT-POS-a2421bb6-1
0.258
PET-UNK-b1ef24dc-5
0.258
MAK-UNK-919546f0-3
0.258
MAK-UNK-f481d203-5
0.258
MAK-UNK-f481d203-6
0.258
MAT-POS-1ecf5680-1
0.257
ALP-UNI-0676e700-28
0.257
MAT-POS-afb6844f-1
0.256
ADA-UCB-dc2b944c-12
0.256
JOH-SUS-a69c159d-1
0.256
DAR-DIA-bd041b9b-14
0.255
DAR-DIA-bd041b9b-33
0.255
JAG-UCB-c61058a9-18
0.254
MIC-UNK-deda7a44-5
0.254
NAU-LAT-8502cac5-2
0.254
EDG-MED-fe7487f8-8
0.254
NAU-LAT-8502cac5-12
0.254
ADA-UCB-b1b30a00-6
0.254
JAG-UCB-52b62a6f-7
0.254
PET-UNK-b1ef24dc-6
0.254
JAG-UCB-52b62a6f-19
0.254
MAT-POS-419aafdb-1
0.254
KAD-UNI-b13decd3-2
0.253
RAL-THA-b74298ba-1
0.252
RAL-THA-b74298ba-2
0.252