Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(C(=O)Nc3cncc4ccccc34)c3ccc(Cl)cc3)c2)N1 |
MW: | 492.08 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.56 |
cLogP: | 6.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
ALF-EVA-650655fc-1
0.660
ALF-EVA-650655fc-2
0.635
RYA-UNI-14580791-1
0.627
ALF-EVA-650655fc-3
0.623
MAT-POS-53907a1c-3
0.611
ALF-EVA-650655fc-6
0.600
ALF-EVA-650655fc-7
0.593
EDJ-MED-7320d5d2-1
0.590
ALP-POS-3b848b35-2
0.590
MAT-POS-3b92565d-3
0.590
ALF-EVA-650655fc-8
0.589
ALF-EVA-650655fc-4
0.584
MAT-POS-9ff17035-1
0.500
FRA-DIA-b66f7109-1
0.491
FRA-DIA-b66f7109-2
0.491
FRA-DIA-b66f7109-4
0.491
PET-UNK-cf04cb02-1
0.481
FRA-DIA-13af2da5-1
0.480
MIC-UNK-d36ab305-5
0.480
FRA-DIA-b66f7109-3
0.474
MIC-UNK-d36ab305-2
0.471
EDJ-MED-50011917-2
0.464
ERI-UCB-ce40166b-5
0.455
ALF-EVA-0b412456-1
0.455
MAR-UCB-ad2ff052-1
0.453
ALF-EVA-0b412456-3
0.442
VLA-UCB-05e51b3f-11
0.440
VLA-UCB-50c39ae8-8
0.440
ALF-EVA-0b412456-5
0.439
ALF-EVA-0b412456-4
0.430
ALF-EVA-650655fc-5
0.430
MAR-UCB-ad2ff052-2
0.427
ALF-EVA-0b412456-6
0.426
ALF-EVA-0b412456-2
0.426
ALF-EVA-0b412456-7
0.424
EDJ-MED-50011917-1
0.422
DAR-DIA-667e571f-3
0.421
RAL-THA-065e0743-2
0.420
PET-UNK-a17c93d1-1
0.412
ALF-EVA-0b412456-8
0.412
DAR-DIA-667e571f-4
0.410
DAR-DIA-0587064e-3
0.409
MIC-UNK-cdc2493e-12
0.405
DAR-DIA-667e571f-2
0.405
MAT-POS-3b92565d-2
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ALP-POS-3b848b35-1
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RAL-THA-2d450e86-18
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MIC-UNK-cdc2493e-6
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ALP-POS-f1807566-3
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EDJ-MED-50011917-3
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MIC-UNK-cdc2493e-20
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DAR-DIA-667e571f-6
0.402
MIC-UNK-91acba05-1
0.400
MIC-UNK-cdc2493e-7
0.400
MIC-UNK-bcd487e9-3
0.400
ADA-UCB-dc2b944c-17
0.400
MAT-POS-865c3497-1
0.400
ALP-POS-fab80cf2-1
0.400
MIC-UNK-cdc2493e-11
0.400
MAT-POS-22e8b45a-1
0.400
ROB-UNI-322e8f70-3
0.400
MAT-POS-865c3497-2
0.400
ADA-UCB-dc2b944c-3
0.400
DAR-DIA-667e571f-5
0.398
MIC-UNK-cdc2493e-18
0.398
MIC-UNK-bcd487e9-4
0.398
MIC-UNK-cdc2493e-1
0.396
MIC-UNK-cdc2493e-17
0.396
MAT-POS-89e65850-1
0.395
MIC-UNK-cdc2493e-21
0.395
MAT-POS-c7771779-2
0.395
JOH-UNI-e398da21-1
0.395
MIC-UNK-cdc2493e-4
0.393
MIC-UNK-cdc2493e-5
0.393
MIC-UNK-bcd487e9-2
0.393
PET-UNK-407a74a5-8
0.393
DAR-DIA-1d7f034a-1
0.392
MAR-UCB-ad2ff052-3
0.392
MIC-UNK-8758c41d-2
0.391
MIC-UNK-bcd487e9-7
0.389
MAT-POS-22e8b45a-2
0.389
RAL-THA-176e263b-4
0.389
MIC-UNK-e8d6fb58-1
0.389
EDJ-MED-c314995a-1
0.389
VLA-UCB-05e51b3f-14
0.389
MAT-POS-fb82b63d-4
0.388
RAL-THA-2d450e86-2
0.388
MAT-POS-f39f51fd-1
0.387
ALP-POS-477dc5b7-2
0.387
MIC-UNK-45817b9b-1
0.387
MAT-POS-43c25e9b-2
0.387
EDJ-MED-a6bd50ad-1
0.387
EDJ-MED-92e193ae-1
0.387
ALF-EVA-b701bd13-3
0.387
MAT-POS-43c25e9b-1
0.387
EDJ-MED-92e193ae-2
0.387
MIC-UNK-91acba05-5
0.387
ADA-UCB-dc2b944c-2
0.387
MIC-UNK-bcd487e9-6
0.386
ALP-POS-fe871b40-2
0.386