Molecular Properties | |
SMILES: | Cn1cc(NC(=O)Cc2cc(Cl)cc(OC3CC(=O)N3)c2)c2ccccc2c1=O |
MW: | 411.1 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 89.43 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
Filter82_pyridinium
b-lactam
MAT-POS-3b92565d-8
0.716
MAT-POS-3b92565d-6
0.596
MAT-POS-3b92565d-3
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ALP-POS-3b848b35-2
0.589
EDJ-MED-7320d5d2-1
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WIL-MOD-03b86a88-1
0.582
TRY-UNI-2eddb1ff-7
0.582
RAL-THA-065e0743-2
0.557
MAT-POS-4211dce8-1
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ALF-EVA-0b412456-6
0.529
ALP-POS-a30bcdb4-1
0.520
ALF-EVA-0b412456-1
0.520
JAN-GHE-74b8b0cb-1
0.520
ALF-EVA-0b412456-4
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ALF-EVA-0b412456-3
0.520
BEN-DND-b89db3f2-3
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ALF-EVA-0b412456-2
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MAT-POS-3b92565d-7
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ALF-EVA-0b412456-5
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ALF-EVA-0b412456-7
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MAT-POS-9ff17035-1
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ALF-EVA-0b412456-8
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PET-UNK-cf04cb02-1
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MAT-POS-3b92565d-12
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MAT-POS-c478e61b-1
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DAR-DIA-23e5a6a0-30
0.450
DAR-DIA-23e5a6a0-24
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DAR-DIA-23e5a6a0-22
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RAL-THA-901e9a10-2
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DAR-DIA-23e5a6a0-26
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RAL-THA-901e9a10-1
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LON-WEI-4d77710c-18
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LON-WEI-5e7d1b3e-18
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RAL-THA-901e9a10-5
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RAL-THA-901e9a10-6
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RAL-THA-901e9a10-4
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LON-WEI-5e7d1b3e-36
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LON-WEI-4d77710c-36
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MAT-POS-3b92565d-5
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DAR-DIA-23e5a6a0-28
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RAL-THA-901e9a10-3
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TRY-UNI-2eddb1ff-6
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LON-WEI-4d77710c-52
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MAT-POS-2492181e-1
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LON-WEI-5e7d1b3e-52
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MAT-POS-af71705c-1
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ERI-UCB-ce40166b-5
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MAT-POS-b5746674-97
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LON-WEI-4d77710c-46
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LON-WEI-5e7d1b3e-46
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LON-WEI-4d77710c-1
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LON-WEI-5e7d1b3e-1
0.392
WIL-MOD-03b86a88-4
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LON-WEI-4d77710c-5
0.388
LON-WEI-5e7d1b3e-5
0.388
ALP-POS-3b848b35-1
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LON-WEI-5e7d1b3e-12
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MAT-POS-3b92565d-2
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LON-WEI-4d77710c-12
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RAL-THA-2d450e86-18
0.380
LON-WEI-5e7d1b3e-47
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MAT-POS-b5746674-42
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LON-WEI-5e7d1b3e-49
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LON-WEI-4d77710c-49
0.378
LON-WEI-4d77710c-47
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MAR-UCB-ad2ff052-1
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MAT-POS-173a45da-2
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DAR-DIA-0587064e-3
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RAL-THA-901e9a10-7
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BRU-LEF-c49414a7-1
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MAT-POS-2492181e-3
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LON-WEI-4d77710c-6
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LON-WEI-5e7d1b3e-6
0.371
MAT-POS-2492181e-2
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MAT-POS-b5746674-36
0.370
LON-WEI-5e7d1b3e-45
0.370
LON-WEI-5e7d1b3e-23
0.370
LON-WEI-4d77710c-23
0.370
LON-WEI-4d77710c-45
0.370
ALP-POS-3fc1724e-2
0.363
ERI-UCB-ce40166b-17
0.363
ALF-EVA-650655fc-1
0.362
PET-UNK-bb7ffe78-2
0.362
LON-WEI-4d77710c-33
0.361
LON-WEI-5e7d1b3e-33
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MAT-POS-c9973a83-1
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JAN-GHE-74b8b0cb-2
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ALF-EVA-650655fc-4
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CHO-MSK-6e55470f-20
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PET-UNK-8c422e11-4
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MAR-UCB-ad2ff052-2
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EDJ-MED-50011917-2
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LON-WEI-5e7d1b3e-31
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MAT-POS-2492181e-5
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LON-WEI-4d77710c-31
0.353
RYA-UNI-8a7f7a0d-1
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ALF-EVA-650655fc-2
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EDJ-MED-50011917-1
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LON-WEI-5e7d1b3e-7
0.349
MAT-POS-b5746674-98
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