Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(CCC3CC3)C(=O)Nc3cncc4ccccc34)c2)N1 |
MW: | 450.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 83.56 |
cLogP: | 4.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
MAT-POS-53907a1c-3
ALF-EVA-650655fc-2
0.954
ALF-EVA-650655fc-3
0.933
MAT-POS-53907a1c-3
0.912
ALF-EVA-650655fc-6
0.892
ALF-EVA-650655fc-8
0.854
ALF-EVA-650655fc-4
0.845
ALF-EVA-650655fc-7
0.837
RYA-UNI-8a7f7a0d-1
0.660
ALF-EVA-650655fc-5
0.649
MAT-POS-3b92565d-3
0.606
ALP-POS-3b848b35-2
0.606
EDJ-MED-7320d5d2-1
0.606
MAR-UCB-ad2ff052-3
0.606
DAR-DIA-1d7f034a-1
0.606
MIC-UNK-cdc2493e-1
0.566
EDJ-MED-c314995a-1
0.554
VLA-UCB-05e51b3f-14
0.554
MAR-UCB-ad2ff052-2
0.539
FRA-DIA-b66f7109-2
0.519
MAT-POS-9ff17035-1
0.514
ADA-UCB-dc2b944c-3
0.505
ADA-UCB-dc2b944c-17
0.505
FRA-DIA-b66f7109-4
0.505
PET-UNK-cf04cb02-1
0.495
FRA-DIA-b66f7109-1
0.491
EDJ-MED-50011917-2
0.491
FRA-DIA-b66f7109-3
0.487
ADA-UCB-dc2b944c-2
0.486
MIC-UNK-cdc2493e-2
0.481
MIC-UNK-cdc2493e-15
0.481
ERI-UCB-ce40166b-5
0.468
MAR-UCB-ad2ff052-1
0.467
MIC-UNK-bcd487e9-3
0.467
VLA-UCB-34f3ed0c-13
0.459
MIC-UNK-bcd487e9-2
0.458
ADA-UCB-dc2b944c-6
0.455
ALF-EVA-0b412456-4
0.455
ALF-EVA-0b412456-1
0.455
MIC-UNK-cdc2493e-19
0.453
MIC-UNK-cdc2493e-3
0.453
MIC-UNK-cdc2493e-23
0.453
MIC-UNK-bcd487e9-4
0.450
EDJ-MED-50011917-1
0.449
MAT-UCB-93f6aed8-1
0.448
ALF-EVA-0b412456-7
0.448
RAL-THA-065e0743-2
0.445
ALF-EVA-0b412456-3
0.442
MIC-UNK-cdc2493e-22
0.441
MIC-UNK-cdc2493e-16
0.440
MIC-UNK-cdc2493e-24
0.440
VLA-UCB-05e51b3f-11
0.440
VLA-UCB-50c39ae8-8
0.440
ALF-EVA-0b412456-6
0.439
ALF-EVA-0b412456-2
0.439
ALF-EVA-0b412456-5
0.439
MAT-POS-136e7878-2
0.436
MIC-UNK-bcd487e9-6
0.436
DAR-DIA-0587064e-3
0.435
DAR-DIA-667e571f-7
0.433
VLA-UCB-34f3ed0c-6
0.432
MIC-UNK-bcd487e9-10
0.431
MIC-UNK-cdc2493e-6
0.430
EDJ-MED-50011917-3
0.429
MIC-UNK-bcd487e9-7
0.427
MIC-UNK-cdc2493e-20
0.427
MIC-UNK-bcd487e9-5
0.426
MIC-UNK-cdc2493e-11
0.426
ALP-POS-fab80cf2-1
0.425
MIC-UNK-cdc2493e-7
0.425
ADA-UCB-dc2b944c-18
0.425
MIC-UNK-bcd487e9-1
0.425
VLA-UCB-50c39ae8-9
0.424
VLA-UCB-05e51b3f-12
0.424
ALF-EVA-0b412456-8
0.424
MIC-UNK-cdc2493e-17
0.422
RYA-UNI-14580791-1
0.421
MAT-POS-53907a1c-2
0.421
MIC-UNK-cdc2493e-4
0.418
MIC-UNK-cdc2493e-5
0.418
MIC-UNK-cdc2493e-12
0.418
MAT-POS-3b92565d-2
0.417
ALP-POS-3b848b35-1
0.417
RAL-THA-2d450e86-18
0.417
MIC-UNK-bcd487e9-8
0.414
DAR-DIA-53551c05-11
0.413
PET-UNK-a17c93d1-1
0.412
MIC-UNK-cdc2493e-18
0.411
MIC-UNK-bcd487e9-9
0.411
MIC-UNK-cdc2493e-9
0.407
MIC-UNK-cdc2493e-21
0.407
MIC-UNK-cdc2493e-13
0.405
MIC-UNK-cdc2493e-8
0.405
PET-UNK-c5865d42-1
0.404
MIC-UNK-cdc2493e-10
0.404
VLA-UCB-34f3ed0c-7
0.404
VLA-UCB-34f3ed0c-5
0.400
RAY-UNI-5365d7e5-1
0.398
MIC-UNK-cdc2493e-14
0.398
ALP-POS-fe871b40-2
0.398
PET-UNK-bb7ffe78-2
0.398