Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1ccc(OC2CC(=O)N2)s1 |
MW: | 318.08 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 92.35 |
cLogP: | 2.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
betalactam
b-lactam
TRY-UNI-bbd40bb4-4
0.618
TRY-UNI-bbd40bb4-5
0.602
RAL-THA-901e9a10-7
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BRU-LEF-c49414a7-1
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RAL-THA-901e9a10-6
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RAL-THA-901e9a10-2
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RAL-THA-901e9a10-1
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RAL-THA-901e9a10-5
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RAL-THA-901e9a10-4
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RAL-THA-901e9a10-8
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TRY-UNI-2eddb1ff-7
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WIL-MOD-03b86a88-1
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MAR-UCB-ad2ff052-1
0.436
RAL-THA-901e9a10-3
0.432
TRY-UNI-2eddb1ff-6
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TRY-UNI-2eddb1ff-8
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ALE-HEI-f28a35b5-2
0.423
MAR-UCB-ad2ff052-2
0.423
TRY-UNI-714a760b-4
0.421
ALE-HEI-f28a35b5-1
0.421
TRY-UNI-714a760b-11
0.405
ALE-HEI-f28a35b5-7
0.405
SAM-UNK-2684b532-8
0.396
DAR-DIA-0cde14eb-68
0.395
DAR-DIA-0cde14eb-65
0.395
MAT-POS-590ac91e-10
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DAR-DIA-0cde14eb-67
0.391
DAR-DIA-0cde14eb-66
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TRY-UNI-714a760b-12
0.390
JAG-UCB-cedd89ab-8
0.390
TRY-UNI-714a760b-24
0.388
ALP-POS-95b75b4d-4
0.386
SIM-DEM-f31d0e65-1
0.386
NAU-LAT-3f5f3993-2
0.386
CHR-SOS-363cfb78-7
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JAN-GHE-f4ca5a00-15
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MAT-POS-590ac91e-12
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DAR-DIA-0cde14eb-69
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ALP-POS-3fc1724e-6
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MAK-UNK-6435e6c2-8
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AAR-POS-d2a4d1df-3
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EDG-MED-0da5ad92-9
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NAU-LAT-3f5f3993-5
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BEN-DND-6de5dfa0-3
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BEN-DND-09b88bf4-3
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CHR-SOS-363cfb78-2
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DAR-DIA-0cde14eb-5
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ALE-HEI-f28a35b5-13
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DAR-DIA-0cde14eb-6
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DAR-DIA-0cde14eb-7
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DAR-DIA-0cde14eb-8
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DAR-DIA-1d7f034a-1
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MAR-UCB-ad2ff052-3
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MAT-POS-590ac91e-7
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MAT-POS-590ac91e-9
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TRY-UNI-714a760b-17
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MAT-POS-590ac91e-5
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AHN-SAT-202241f6-1
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MAK-UNK-6ca90168-27
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ERI-UCB-5b47150d-1
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MAT-POS-590ac91e-2
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ASH-SAT-43770c7d-9
0.368
MAT-POS-590ac91e-1
0.368
CHR-SOS-1f323c23-10
0.368
TRY-UNI-bbd40bb4-2
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ALE-HEI-f28a35b5-6
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EDG-MED-0da5ad92-4
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TRY-UNI-714a760b-10
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ALE-HEI-f28a35b5-3
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MAK-UNK-6ca90168-26
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EDG-MED-0da5ad92-19
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ALP-POS-3fc1724e-5
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DAR-DIA-0cde14eb-9
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TRY-UNI-714a760b-5
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EDJ-MED-c9f55a56-1
0.361
MAT-POS-590ac91e-26
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CHR-SOS-1f323c23-7
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MAT-POS-590ac91e-6
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MAT-POS-590ac91e-18
0.358
MAT-POS-590ac91e-19
0.358
PET-SGC-6e7c5dc0-1
0.358
SAM-UNK-2684b532-9
0.358
EDJ-MED-3c65e9ce-1
0.357
JOH-UNI-abfda500-6
0.357
ANN-UNI-98d2bf15-1
0.357
BEN-DND-93268d01-8
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TRY-UNI-714a760b-16
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MAT-POS-590ac91e-8
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BEN-DND-09b88bf4-4
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EDJ-MED-e58735b6-1
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BEN-DND-6de5dfa0-4
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BEN-DND-22e6b372-3
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CHR-SOS-1f323c23-4
0.356
DAN-RED-da448e80-1
0.356
DRE-WAB-eb790b7a-1
0.356
PED-UNI-5b7f1100-1
0.356
PED-UNI-8d53fd73-1
0.356
WAR-XCH-e55cba98-9
0.356
MAT-POS-590ac91e-11
0.354
ALE-HEI-f28a35b5-12
0.354