Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(CCC3CCCOC3)C(=O)Nc3cncc4ccccc34)c2)N1 |
MW: | 494.17 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 92.79 |
cLogP: | 4.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
MAT-POS-53907a1c-3
ALF-EVA-650655fc-2
0.840
ALF-EVA-650655fc-1
0.837
ALF-EVA-650655fc-3
0.824
ALF-EVA-650655fc-6
0.810
MAT-POS-53907a1c-3
0.808
ALF-EVA-650655fc-8
0.761
ALF-EVA-650655fc-4
0.755
ALF-EVA-650655fc-5
0.602
RYA-UNI-8a7f7a0d-1
0.593
DAR-DIA-1d7f034a-1
0.547
MAR-UCB-ad2ff052-3
0.547
ALP-POS-3b848b35-2
0.531
MAT-POS-3b92565d-3
0.531
EDJ-MED-7320d5d2-1
0.531
MIC-UNK-cdc2493e-1
0.509
EDJ-MED-c314995a-1
0.500
VLA-UCB-05e51b3f-14
0.500
FRA-DIA-b66f7109-2
0.483
MIC-UNK-cdc2493e-2
0.475
MAR-UCB-ad2ff052-2
0.474
MAT-POS-9ff17035-1
0.467
FRA-DIA-b66f7109-4
0.459
ADA-UCB-dc2b944c-3
0.458
ADA-UCB-dc2b944c-17
0.458
FRA-DIA-b66f7109-3
0.456
PET-UNK-cf04cb02-1
0.449
MIC-UNK-bcd487e9-4
0.445
ADA-UCB-dc2b944c-2
0.444
MIC-UNK-cdc2493e-15
0.438
MIC-UNK-bcd487e9-3
0.436
FRA-DIA-b66f7109-1
0.435
EDJ-MED-50011917-2
0.434
MIC-UNK-bcd487e9-2
0.429
ERI-UCB-ce40166b-5
0.426
VLA-UCB-34f3ed0c-13
0.418
ALF-EVA-0b412456-4
0.416
ADA-UCB-dc2b944c-6
0.416
VLA-UCB-50c39ae8-8
0.414
VLA-UCB-05e51b3f-11
0.414
MIC-UNK-cdc2493e-16
0.413
ALF-EVA-0b412456-6
0.413
VLA-UCB-05e51b3f-12
0.413
VLA-UCB-50c39ae8-9
0.413
MAR-UCB-ad2ff052-1
0.412
MIC-UNK-cdc2493e-3
0.412
MIC-UNK-cdc2493e-23
0.412
ADA-UCB-dc2b944c-18
0.411
ALF-EVA-0b412456-7
0.411
MAT-UCB-93f6aed8-1
0.411
EDJ-MED-50011917-1
0.408
VLA-UCB-34f3ed0c-6
0.407
ALF-EVA-0b412456-3
0.405
ALF-EVA-0b412456-1
0.403
MIC-UNK-cdc2493e-22
0.403
MIC-UNK-bcd487e9-5
0.400
MIC-UNK-cdc2493e-19
0.400
DAR-DIA-667e571f-7
0.398
MIC-UNK-bcd487e9-6
0.398
MAT-POS-136e7878-2
0.398
RAL-THA-065e0743-2
0.395
MIC-UNK-bcd487e9-10
0.393
ALF-EVA-0b412456-5
0.391
ALF-EVA-0b412456-2
0.391
MIC-UNK-cdc2493e-24
0.390
MIC-UNK-bcd487e9-7
0.390
MIC-UNK-bcd487e9-8
0.390
PET-UNK-a17c93d1-1
0.389
MIC-UNK-bcd487e9-1
0.387
MAT-POS-53907a1c-2
0.386
DAR-DIA-0587064e-3
0.385
VLA-UCB-34f3ed0c-7
0.381
EDJ-MED-50011917-3
0.381
RYA-UNI-14580791-1
0.380
ALF-EVA-0b412456-8
0.379
JAG-UCB-706446eb-7
0.379
ALP-POS-fab80cf2-1
0.378
MIC-UNK-bcd487e9-9
0.376
ERI-UCB-ce40166b-6
0.372
MIC-UNK-cdc2493e-4
0.371
MIC-UNK-cdc2493e-5
0.371
DAR-DIA-0587064e-14
0.369
MIC-UNK-cdc2493e-6
0.369
PET-UNK-c5865d42-1
0.369
MIC-UNK-cdc2493e-20
0.368
MAT-POS-3b92565d-2
0.368
RAL-THA-2d450e86-18
0.368
ALP-POS-3b848b35-1
0.368
MIC-UNK-cdc2493e-7
0.367
RAY-UNI-5365d7e5-1
0.366
MIC-UNK-cdc2493e-11
0.366
PET-UNK-d9de6a0b-1
0.366
ALP-POS-fe871b40-2
0.365
EDJ-MED-6d9ff7d0-8
0.365
DAR-DIA-0d514e7d-6
0.364
VLA-UCB-34f3ed0c-21
0.364
DAR-DIA-0587064e-16
0.364
DAR-DIA-0d514e7d-4
0.364
FRA-DIA-13af2da5-1
0.364
EDJ-MED-fcba3f31-1
0.364
MIC-UNK-d36ab305-5
0.364