Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)C(=O)C(=O)N4Cc3ncon3)c2)N1 |
MW: | 424.06 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 114.63 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
diketo group
Filter41_12_dicarbonyl
b-lactam
Ketone
NAU-LAT-b0463c38-1
0.576
NAU-LAT-b0463c38-6
0.515
NAU-LAT-b0463c38-5
0.495
DAR-DIA-53551c05-7
0.491
DAR-DIA-53551c05-11
0.470
DAR-DIA-53551c05-16
0.462
LOR-NOR-30067bb9-18
0.446
DAR-DIA-53551c05-13
0.432
DAR-DIA-53551c05-15
0.418
JOE-NOR-ee0d220f-1
0.412
NAU-LAT-b0463c38-3
0.357
NAU-LAT-b0463c38-9
0.312
BEN-DND-b89db3f2-3
0.301
NAU-LAT-b0463c38-8
0.296
ERI-UCB-ce40166b-5
0.295
MAR-UCB-ad2ff052-2
0.292
RAL-THA-065e0743-2
0.287
TRY-UNI-2eddb1ff-7
0.282
WIL-MOD-03b86a88-1
0.282
TRY-UNI-2eddb1ff-8
0.282
JAN-GHE-f4ca5a00-15
0.278
MAR-UCB-ad2ff052-1
0.277
MAT-POS-3b92565d-3
0.276
EDJ-MED-7320d5d2-1
0.276
MAT-POS-3b92565d-12
0.276
MAT-POS-c478e61b-1
0.276
ALP-POS-3b848b35-2
0.276
ALF-EVA-0b412456-2
0.276
JAN-GHE-74b8b0cb-1
0.274
ALF-EVA-0b412456-1
0.274
ALF-EVA-650655fc-1
0.271
ALP-POS-a30bcdb4-1
0.270
ERI-UCB-ce40166b-17
0.270
ALP-POS-3fc1724e-2
0.270
JAN-GHE-74b8b0cb-2
0.269
MAT-POS-3b92565d-9
0.268
ALF-EVA-0b412456-7
0.267
ALF-EVA-0b412456-5
0.266
ALP-POS-3fc1724e-5
0.265
DAR-DIA-667e571f-1
0.264
ALF-EVA-650655fc-2
0.263
ALF-EVA-650655fc-6
0.261
MAR-UCB-ad2ff052-3
0.260
DAR-DIA-1d7f034a-1
0.260
ALF-EVA-650655fc-3
0.259
MAD-UNK-521a29d8-1
0.259
MAT-POS-3b92565d-6
0.258
ALF-EVA-0b412456-3
0.258
ALF-EVA-0b412456-4
0.258
ALP-POS-3fc1724e-6
0.258
ALF-EVA-0b412456-8
0.258
MAT-POS-c478e61b-2
0.257
ALF-EVA-0b412456-6
0.256
MAT-POS-53907a1c-3
0.255
ALF-EVA-650655fc-4
0.255
DAR-DIA-667e571f-4
0.254
ALF-EVA-650655fc-7
0.254
RYA-UNI-8a7f7a0d-1
0.252
ALP-POS-a30bcdb4-2
0.252
DAR-DIA-667e571f-3
0.250
ALF-EVA-650655fc-8
0.248
DAR-DIA-667e571f-6
0.248
LOR-NOR-c954e7ad-6
0.245
DAR-DIA-667e571f-2
0.244
DAR-DIA-53551c05-3
0.242
DAR-DIA-667e571f-7
0.241
FRA-DIA-b66f7109-3
0.239
ERI-UCB-ce40166b-6
0.238
FRA-DIA-b66f7109-2
0.237
ERI-UCB-ce40166b-9
0.233
LOR-NOR-30067bb9-6
0.232
PET-UNK-d62a9a75-1
0.232
PET-UNK-d62a9a75-3
0.232
ALF-EVA-650655fc-5
0.231
DAR-DIA-53551c05-18
0.230
DAR-DIA-667e571f-5
0.229
RAL-MED-2de63afb-14
0.226
ERI-UCB-ce40166b-18
0.226
RAL-MED-2de63afb-2
0.224
RAL-THA-901e9a10-4
0.224
ERI-UCB-ce40166b-1
0.224
LOR-NOR-c954e7ad-5
0.223
RAL-MED-2de63afb-6
0.223
RAL-THA-901e9a10-1
0.223
VLA-UCB-50c39ae8-8
0.222
TRY-UNI-bbd40bb4-1
0.222
VLA-UCB-05e51b3f-11
0.222
MAT-POS-9ff17035-1
0.221
RAL-THA-901e9a10-5
0.221
RAL-THA-901e9a10-6
0.221
RAL-THA-901e9a10-2
0.220
JAG-UCB-c61058a9-38
0.219
LOR-NOR-c954e7ad-1
0.218
FRA-DIA-b66f7109-1
0.218
FRA-DIA-b66f7109-4
0.218
DAR-DIA-53551c05-12
0.218
RAL-MED-2de63afb-1
0.217
BAR-COM-4e090d3a-39
0.217
BRU-LEF-c49414a7-1
0.217
RAL-THA-901e9a10-7
0.217