Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)C(=O)C(=O)N4)c2)N1 |
MW: | 342.04 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 84.5 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
diketo group
Filter41_12_dicarbonyl
b-lactam
Ketone
NAU-LAT-b0463c38-4
0.495
DAR-DIA-53551c05-7
0.455
DAR-DIA-53551c05-11
0.419
DAR-DIA-53551c05-16
0.411
DAR-DIA-53551c05-13
0.406
DAR-DIA-53551c05-15
0.404
NAU-LAT-b0463c38-7
0.400
MAR-UCB-ad2ff052-1
0.333
TRY-UNI-2eddb1ff-7
0.327
TRY-UNI-2eddb1ff-8
0.327
WIL-MOD-03b86a88-1
0.327
BEN-DND-b89db3f2-3
0.323
LOR-NOR-30067bb9-13
0.316
ERI-UCB-ce40166b-5
0.314
ALF-EVA-0b412456-1
0.314
MAR-UCB-ad2ff052-2
0.311
MAT-POS-3b92565d-9
0.308
LOR-NEU-c8f11034-3
0.306
EDJ-MED-7320d5d2-1
0.305
MAT-POS-3b92565d-3
0.305
ALP-POS-3b848b35-2
0.305
RAL-THA-065e0743-2
0.305
ALP-POS-a30bcdb4-1
0.298
ALF-EVA-650655fc-1
0.297
DAR-DIA-1d7f034a-1
0.295
MAR-UCB-ad2ff052-3
0.295
ALF-EVA-0b412456-3
0.294
JAN-GHE-f4ca5a00-15
0.294
LOR-NEU-c8f11034-6
0.293
ALF-EVA-0b412456-2
0.291
DAR-DIA-667e571f-1
0.290
ALF-EVA-650655fc-2
0.287
RYA-UNI-8a7f7a0d-1
0.286
ALP-POS-3fc1724e-2
0.284
ERI-UCB-ce40166b-17
0.284
MAT-POS-3b92565d-6
0.283
ALF-EVA-650655fc-3
0.282
ALF-EVA-0b412456-4
0.282
ALF-EVA-0b412456-8
0.281
ALP-POS-3fc1724e-6
0.281
MAT-POS-3b92565d-12
0.280
MAT-POS-c478e61b-1
0.280
ALF-EVA-0b412456-5
0.279
ALF-EVA-0b412456-6
0.279
ALP-POS-3fc1724e-5
0.278
JAN-GHE-74b8b0cb-1
0.278
MAT-POS-53907a1c-3
0.277
ALF-EVA-650655fc-6
0.273
LOR-NEU-c8f11034-8
0.270
ALF-EVA-0b412456-7
0.270
ALF-EVA-650655fc-8
0.268
ALF-EVA-650655fc-4
0.266
DAR-DIA-667e571f-4
0.265
RAL-THA-901e9a10-5
0.265
ALF-EVA-650655fc-7
0.264
ALP-POS-a30bcdb4-2
0.263
JAN-GHE-74b8b0cb-2
0.261
DAR-DIA-667e571f-7
0.261
DAR-DIA-667e571f-3
0.261
DAR-DIA-667e571f-6
0.258
FRA-DIA-b66f7109-1
0.257
FRA-DIA-b66f7109-4
0.257
RAL-THA-901e9a10-1
0.255
RAL-THA-901e9a10-4
0.255
DAR-DIA-667e571f-2
0.254
RAL-THA-901e9a10-6
0.252
NAU-LAT-356bd3c2-13
0.250
RAL-MED-2de63afb-9
0.250
RAL-THA-901e9a10-2
0.250
RAL-MED-2de63afb-11
0.250
ALF-EVA-650655fc-5
0.248
MAT-POS-c478e61b-2
0.248
FRA-DIA-b66f7109-3
0.248
ERI-UCB-ce40166b-6
0.248
RAL-THA-901e9a10-7
0.248
BRU-LEF-c49414a7-1
0.248
RAL-MED-2de63afb-14
0.247
FRA-DIA-b66f7109-2
0.246
NAU-LAT-b0463c38-2
0.245
RAL-MED-2de63afb-6
0.245
TRY-UNI-2eddb1ff-6
0.243
RAL-THA-901e9a10-3
0.243
RAL-MED-2de63afb-10
0.242
BAR-COM-4e090d3a-53
0.240
MAT-POS-9ff17035-1
0.239
DAR-DIA-667e571f-5
0.236
TRY-UNI-bbd40bb4-2
0.236
DAR-DIA-23e5a6a0-30
0.236
RAL-MED-2de63afb-16
0.235
RAL-MED-2de63afb-15
0.235
ERI-UCB-ce40166b-18
0.233
RAY-UNI-5365d7e5-1
0.233
RAL-MED-2de63afb-2
0.232
RAL-MED-2de63afb-5
0.232
DAR-DIA-23e5a6a0-24
0.231
ERI-UCB-ce40166b-9
0.230
TRY-UNI-bbd40bb4-1
0.230
VLA-UCB-05e51b3f-11
0.229
VLA-UCB-50c39ae8-8
0.229
EDJ-MED-f073a5ff-4
0.228