Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(CCc1ccccc1)c1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 449.15 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 80.32 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
AAR-POS-d2a4d1df-1
JAN-GHE-f4ca5a00-15
0.755
ALP-POS-3fc1724e-5
0.710
TRY-UNI-2eddb1ff-8
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ALP-POS-a30bcdb4-2
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MAT-POS-c478e61b-2
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ALP-POS-3fc1724e-7
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WIL-MOD-03b86a88-1
0.525
TRY-UNI-2eddb1ff-7
0.525
MAR-UCB-ad2ff052-1
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MAR-UCB-ad2ff052-2
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MAR-UCB-ad2ff052-3
0.482
DAR-DIA-1d7f034a-1
0.482
JAN-GHE-83b26c96-8
0.465
RAL-THA-901e9a10-1
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RAL-THA-901e9a10-7
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BRU-LEF-c49414a7-1
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JAN-GHE-74b8b0cb-2
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RAL-THA-901e9a10-5
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RAL-THA-901e9a10-6
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BEN-DND-93268d01-3
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RAL-THA-901e9a10-2
0.439
BEN-DND-93268d01-2
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EDG-MED-0da5ad92-5
0.429
RAL-THA-901e9a10-3
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RAL-THA-901e9a10-4
0.427
TRY-UNI-2eddb1ff-6
0.427
SAM-UNK-2684b532-1
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BEN-DND-93268d01-14
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SAM-UNK-2684b532-10
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DAR-DIA-23e5a6a0-30
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ADA-UCB-6c2cb422-9
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JAN-GHE-83b26c96-4
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TRY-UNI-2eddb1ff-5
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TRY-UNI-2eddb1ff-4
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JAN-GHE-83b26c96-5
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TRY-UNI-714a760b-18
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PED-UNI-5b7f1100-1
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PED-UNI-8d53fd73-1
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DAN-RED-da448e80-1
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DRE-WAB-eb790b7a-1
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DAR-DIA-23e5a6a0-24
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RAL-THA-901e9a10-8
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MAK-UNK-f203cb68-3
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DAR-DIA-23e5a6a0-22
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AHN-SAT-202241f6-1
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TRY-UNI-714a760b-17
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DAR-DIA-23e5a6a0-26
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DAR-DIA-23e5a6a0-28
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WIL-MOD-03b86a88-4
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MAK-UNK-f203cb68-16
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TRY-UNI-bbd40bb4-6
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RAL-THA-065e0743-2
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MAT-POS-1e5f28a7-1
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MAK-UNK-f203cb68-1
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NAU-LAT-a5c7d7cb-3
0.373
VLA-UCB-05e51b3f-2
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JAN-GHE-83b26c96-9
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ABI-SAT-4d06482b-1
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TRY-UNI-2eddb1ff-3
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DAN-RED-da448e80-9
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MAK-UNK-f203cb68-7
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JAN-GHE-83b26c96-10
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WIL-MOD-03b86a88-3
0.364
ALP-POS-3b848b35-2
0.364
MAT-POS-3b92565d-3
0.364
EDJ-MED-7320d5d2-1
0.364
MAK-UNK-f203cb68-19
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DAN-RED-da448e80-13
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EDG-MED-0da5ad92-20
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DAN-RED-da448e80-17
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BAR-COM-0f94fc3d-19
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ALF-EVA-650655fc-1
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TRY-UNI-714a760b-5
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ALF-EVA-0b412456-3
0.352
ALF-EVA-0b412456-4
0.352
MAT-POS-c9973a83-1
0.352
TRY-UNI-bbd40bb4-5
0.351
ALF-EVA-0b412456-1
0.350
ERI-UCB-ce40166b-5
0.350
ALF-EVA-0b412456-2
0.350
TRY-UNI-bbd40bb4-2
0.348
MAK-UNK-f203cb68-4
0.348
MAK-UNK-f203cb68-21
0.348
MAT-POS-590ac91e-5
0.347
ALP-POS-f13221e1-4
0.346
MAK-UNK-f203cb68-22
0.345
MAT-POS-3b92565d-9
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MAT-POS-136e7878-2
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MAT-POS-590ac91e-2
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ERI-UCB-5b47150d-1
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MAT-POS-590ac91e-1
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ALF-EVA-650655fc-2
0.344
MAT-POS-53907a1c-3
0.344
RAL-MED-2de63afb-6
0.343
DAN-RED-da448e80-5
0.343
RAL-MED-2de63afb-15
0.343
RAL-MED-2de63afb-16
0.343
ALF-EVA-650655fc-4
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MAK-UNK-f203cb68-15
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MAK-UNK-f203cb68-20
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