Molecular Properties | |
SMILES: | Cc1cc(NC(=O)N(CCC2CCCCC2)c2cccc(Cl)c2)cc(OC2CC(=O)N2)c1 |
MW: | 455.2 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 70.67 |
cLogP: | 5.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
JOR-UNI-2fc98d0b-12
0.552
MAT-POS-136e7878-1
0.520
MAR-UCB-ad2ff052-3
0.495
DAR-DIA-1d7f034a-1
0.495
MAT-UCB-93f6aed8-2
0.486
MAT-POS-53907a1c-3
0.466
JOR-UNI-2fc98d0b-8
0.464
EDJ-MED-c314995a-1
0.458
VLA-UCB-05e51b3f-14
0.458
ALF-EVA-650655fc-5
0.444
ALF-EVA-650655fc-3
0.437
RAL-MED-2de63afb-2
0.430
MIC-UNK-cdc2493e-1
0.426
ALF-EVA-650655fc-2
0.420
DAR-DIA-667e571f-7
0.413
ALF-EVA-650655fc-1
0.398
JOR-UNI-61e7b1d5-18
0.394
MAT-UCB-93f6aed8-1
0.380
MAT-POS-136e7878-2
0.377
ALF-EVA-650655fc-6
0.367
ALF-EVA-650655fc-7
0.366
ALP-POS-3fc1724e-5
0.366
JOR-UNI-2fc98d0b-17
0.364
ALF-EVA-650655fc-8
0.362
MAT-POS-173a45da-1
0.360
VLA-UCB-34f3ed0c-2
0.360
ALF-EVA-650655fc-4
0.359
JOR-UNI-2fc98d0b-13
0.357
MAR-UCB-ad2ff052-2
0.357
MAT-POS-53907a1c-2
0.353
JOR-UNI-2fc98d0b-15
0.351
MIC-UNK-bcd487e9-2
0.348
MAT-UCB-70f7c0f7-5
0.342
MAR-UCB-ad2ff052-1
0.342
JOR-UNI-2fc98d0b-2
0.340
JOR-UNI-2fc98d0b-11
0.339
JOR-UNI-2fc98d0b-10
0.333
RAL-THA-901e9a10-1
0.330
JAN-GHE-f4ca5a00-11
0.327
JOR-UNI-61e7b1d5-9
0.327
RAL-MED-2de63afb-10
0.327
DAR-DIA-667e571f-1
0.325
MIC-UNK-cdc2493e-15
0.325
ERI-UCB-ce40166b-23
0.324
RAL-MED-2de63afb-11
0.323
ADA-UCB-dc2b944c-2
0.323
ADA-UCB-dc2b944c-3
0.322
ADA-UCB-dc2b944c-17
0.322
JOR-UNI-2fc98d0b-6
0.322
TRY-UNI-bbd40bb4-2
0.322
MIC-UNK-bcd487e9-3
0.319
JOR-UNI-2fc98d0b-3
0.316
JOR-UNI-2fc98d0b-9
0.314
MIC-UNK-cdc2493e-2
0.314
ERI-UCB-ce40166b-5
0.314
WIL-MOD-03b86a88-1
0.313
TRY-UNI-2eddb1ff-7
0.313
JOR-UNI-61e7b1d5-19
0.311
JOR-UNI-2fc98d0b-14
0.310
JOR-UNI-2fc98d0b-16
0.310
TRY-UNI-bbd40bb4-1
0.309
ALF-EVA-0b412456-4
0.306
ALF-EVA-0b412456-3
0.306
RAL-THA-065e0743-2
0.306
BAR-COM-4e090d3a-39
0.306
ALF-EVA-0b412456-1
0.303
RAL-MED-2de63afb-14
0.303
JOR-UNI-61e7b1d5-20
0.302
TRY-UNI-2eddb1ff-8
0.302
MIC-UNK-ea979c74-4
0.301
DAR-DIA-667e571f-5
0.299
VLA-UCB-05e51b3f-12
0.299
VLA-UCB-50c39ae8-9
0.299
BEN-DND-b89db3f2-3
0.298
RAL-MED-2de63afb-9
0.297
DAR-DIA-667e571f-3
0.295
MAT-POS-3b92565d-3
0.295
EDJ-MED-7320d5d2-1
0.295
ALP-POS-3b848b35-2
0.295
VLA-UCB-34f3ed0c-6
0.295
ALF-EVA-0b412456-6
0.294
JOR-UNI-2fc98d0b-5
0.293
JOR-UNI-2fc98d0b-4
0.293
RAL-THA-901e9a10-6
0.293
RAL-THA-901e9a10-5
0.293
JAN-GHE-74b8b0cb-1
0.293
DAR-DIA-667e571f-4
0.291
PET-UNK-a17c93d1-1
0.290
ERI-UCB-ce40166b-9
0.290
RAL-MED-2de63afb-6
0.290
RYA-UNI-8a7f7a0d-1
0.289
JAG-UCB-1d922829-4
0.287
EDG-MED-0da5ad92-20
0.287
MIC-UNK-bcd487e9-6
0.287
MIC-UNK-bcd487e9-4
0.287
MAT-POS-3b92565d-6
0.287
MAT-POS-3b92565d-9
0.287
JAN-GHE-74b8b0cb-2
0.287
ADA-UCB-dc2b944c-6
0.286
JAN-GHE-f4ca5a00-15
0.286