Molecular Properties | |
SMILES: | CN(C(=O)c1n[nH]c(=O)c2ccccc12)c1c(Cc2cccc(Cl)c2)nc(C(=O)CCl)n1C |
MW: | 483.09 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 100.95 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-21
0.632
DAR-DIA-bd041b9b-3
0.610
DAR-DIA-bd041b9b-20
0.577
DAR-DIA-bd041b9b-5
0.519
DAR-DIA-bd041b9b-27
0.509
DAR-DIA-bd041b9b-2
0.455
DAR-DIA-bd041b9b-18
0.439
DAR-DIA-bd041b9b-32
0.425
DAR-DIA-bd041b9b-9
0.395
DAR-DIA-bd041b9b-8
0.391
UNK-UNK-2ede4078-28
0.368
DAR-DIA-bd041b9b-19
0.366
DAR-DIA-bd041b9b-28
0.354
TAT-ENA-80bfd3e5-37
0.339
MAT-POS-fa06b69f-9
0.339
DAR-DIA-bd041b9b-16
0.325
VLA-UNK-0ffe3317-6
0.318
UNK-UNK-2ede4078-92
0.309
UNK-UNK-2ede4078-31
0.305
UNK-UNK-2ede4078-63
0.305
DAR-DIA-bd041b9b-24
0.303
DAR-DIA-bd041b9b-6
0.301
DAR-DIA-bd041b9b-17
0.299
DAR-DIA-bd041b9b-22
0.298
DAR-DIA-bd041b9b-7
0.297
DAR-DIA-bd041b9b-29
0.288
UNK-UNK-2ede4078-1
0.286
UNK-UNK-2ede4078-10
0.282
EDJ-MED-c8e7a002-11
0.280
JOH-UNI-61f30276-1
0.280
NAU-LAT-a5c7d7cb-10
0.280
DAR-DIA-bd041b9b-23
0.279
UNK-UNK-2ede4078-33
0.277
UNK-UNK-2ede4078-88
0.276
NAU-LAT-a5c7d7cb-11
0.275
MAT-POS-bb423b95-7
0.270
JOH-UNI-6fede743-3
0.269
JIN-POS-6dc588a4-19
0.269
MAT-POS-bb423b95-6
0.269
MAT-POS-4211dce8-1
0.266
VLA-UCB-05e51b3f-17
0.265
DAR-DIA-bd041b9b-10
0.265
DAR-DIA-bd041b9b-33
0.264
VLA-UNK-4cf5aa07-2
0.262
DAR-DIA-bd041b9b-34
0.261
EDJ-MED-c8e7a002-5
0.259
JOH-UNI-ee5ed7c8-10
0.258
JOH-UNI-3fc3434e-10
0.258
KRI-MAR-d2e3ef86-9
0.257
PET-UNK-12d8d43f-2
0.256
JAN-GHE-5a013bed-5
0.255
ALP-POS-76eab5ce-2
0.255
DAR-DIA-6a49afbe-1
0.255
VLA-UCB-05e51b3f-15
0.254
PET-UNK-6c2be958-1
0.254
JOH-UNI-3fc3434e-9
0.254
DAR-DIA-076fb6ea-15
0.254
JOH-UNI-ee5ed7c8-9
0.254
JAN-GHE-82a280f8-2
0.254
EDJ-MED-6e43a462-13
0.252
JAN-GHE-5a013bed-3
0.250
VLA-UNK-411a133b-1
0.250
JAG-UCB-a3ef7265-15
0.250
MAR-TRE-4b834d9a-22
0.248
UNK-UNK-2ede4078-62
0.248
MAT-POS-3b92565d-13
0.248
DAR-DIA-0f7b7cd9-2
0.248
MAT-POS-0c8fa4a7-3
0.248
EDJ-MED-49816e9b-5
0.248
JOH-UNI-a38a7bdd-1
0.246
EDJ-MED-ee07cf00-1
0.244
MAR-TRE-f6f5f473-96
0.244
MAT-POS-90fd5f68-3
0.244
EDJ-MED-c8e7a002-3
0.243
UNK-UNK-2ede4078-70
0.243
EDJ-MED-c8e7a002-6
0.243
MAR-TRE-d0525fbf-6
0.242
ALP-POS-75715966-2
0.242
ALP-UNI-44c99a80-4
0.242
UNK-UNK-2ede4078-21
0.242
ERI-UCB-a0b0dbcb-12
0.242
NAU-LAT-4ce8bf23-2
0.242
JAN-GHE-83b26c96-15
0.241
EDG-MED-0da5ad92-1
0.241
MAR-TRE-b77b7921-8
0.240
ALP-POS-75715966-3
0.240
MAR-TRE-4b834d9a-12
0.240
MAT-POS-90fd5f68-18
0.240
PET-UNK-5ecb6237-1
0.239
TRY-UNI-1fd04853-5
0.239
EDJ-MED-c8e7a002-16
0.239
PET-UNK-8df914d1-4
0.238
DAR-DIA-076fb6ea-3
0.238
ALP-POS-b3306dea-1
0.238
JAN-GHE-5a013bed-4
0.238
DAR-DIA-076fb6ea-11
0.238
EDG-MED-0da5ad92-21
0.238
MIC-UNK-9dc9fcd1-5
0.238
HYO-UNK-49a60884-1
0.238
JOH-UNI-0e1753c1-3
0.238