Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1ccc(COC2CC(=O)N2)s1 |
MW: | 332.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 92.35 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
betalactam
b-lactam
TRY-UNI-bbd40bb4-3
0.642
TRY-UNI-bbd40bb4-6
0.602
RAL-THA-901e9a10-6
0.412
BRU-LEF-c49414a7-1
0.411
RAL-THA-901e9a10-7
0.411
RAL-THA-901e9a10-5
0.398
ALE-HEI-f28a35b5-2
0.398
TRY-UNI-714a760b-4
0.395
ALE-HEI-f28a35b5-1
0.395
RAL-THA-901e9a10-2
0.394
RAL-THA-901e9a10-1
0.388
MAR-UCB-ad2ff052-1
0.386
DAR-DIA-0cde14eb-67
0.385
MAT-POS-590ac91e-8
0.384
TRY-UNI-714a760b-11
0.381
ALE-HEI-f28a35b5-7
0.381
WIL-MOD-03b86a88-1
0.380
TRY-UNI-2eddb1ff-7
0.380
TRY-UNI-2eddb1ff-8
0.380
RAL-THA-901e9a10-8
0.380
MAT-POS-590ac91e-12
0.376
SAM-UNK-2684b532-8
0.375
MAR-UCB-ad2ff052-2
0.375
DAR-DIA-0cde14eb-65
0.374
DAR-DIA-0cde14eb-68
0.374
MAT-POS-590ac91e-10
0.372
DAR-DIA-0cde14eb-66
0.370
TRY-UNI-2eddb1ff-6
0.369
RAL-THA-901e9a10-3
0.369
RAL-THA-901e9a10-4
0.369
JAG-UCB-cedd89ab-8
0.368
TRY-UNI-714a760b-12
0.368
TRY-UNI-714a760b-24
0.367
ALE-HEI-f28a35b5-13
0.366
ALP-POS-95b75b4d-4
0.366
SIM-DEM-f31d0e65-1
0.366
DAR-DIA-0cde14eb-8
0.366
MAT-POS-590ac91e-5
0.365
NAU-LAT-3f5f3993-2
0.364
DAR-DIA-0cde14eb-69
0.362
TRY-UNI-714a760b-10
0.360
ALE-HEI-f28a35b5-6
0.360
EDG-MED-0da5ad92-4
0.360
MAK-UNK-6ca90168-26
0.359
MIH-UNI-6b9ca91a-2
0.357
CHR-SOS-363cfb78-2
0.356
EDG-MED-0da5ad92-9
0.356
DAR-DIA-0cde14eb-5
0.355
JAN-GHE-f4ca5a00-15
0.355
BEN-DND-22e6b372-3
0.352
AAR-POS-d2a4d1df-3
0.351
MAK-UNK-6435e6c2-8
0.351
DAR-DIA-0cde14eb-7
0.351
DAR-DIA-0cde14eb-6
0.351
ALP-POS-3fc1724e-6
0.351
CHR-SOS-363cfb78-7
0.351
ERI-UCB-5b47150d-6
0.349
MAT-POS-590ac91e-7
0.349
MAT-POS-590ac91e-9
0.349
CHR-SOS-1f323c23-10
0.348
TRY-UNI-1fd04853-2
0.347
TRY-UNI-bbd40bb4-4
0.347
MAK-UNK-6ca90168-27
0.346
ASH-SAT-43770c7d-9
0.346
MAT-POS-590ac91e-1
0.346
ERI-UCB-5b47150d-1
0.346
MAT-POS-590ac91e-2
0.346
MAT-POS-590ac91e-14
0.344
DAR-DIA-0cde14eb-9
0.344
DAR-DIA-1d7f034a-1
0.342
MAR-UCB-ad2ff052-3
0.342
MAT-POS-590ac91e-26
0.341
BEN-DND-93268d01-3
0.341
BEN-DND-93268d01-10
0.341
BEN-DND-93268d01-2
0.341
CHR-SOS-1f323c23-7
0.340
MAR-TRE-67513f76-79
0.340
MAT-POS-590ac91e-18
0.337
MAT-POS-590ac91e-19
0.337
ALE-HEI-f28a35b5-11
0.337
TRY-UNI-714a760b-16
0.337
BEN-DND-09b88bf4-4
0.337
BEN-DND-6de5dfa0-4
0.337
PED-UNI-5b7f1100-1
0.337
DAN-RED-da448e80-1
0.337
DRE-WAB-eb790b7a-1
0.337
CHR-SOS-1f323c23-4
0.337
PED-UNI-8d53fd73-1
0.337
MAK-UNK-129dcd6f-15
0.337
MIC-UNK-ea979c74-2
0.336
ALP-POS-3fc1724e-5
0.336
ALE-HEI-f28a35b5-12
0.333
EDJ-MED-3c65e9ce-4
0.333
MAT-POS-590ac91e-11
0.333
TRY-UNI-714a760b-17
0.333
AHN-SAT-202241f6-1
0.333
EDJ-MED-e58735b6-2
0.333
ALP-POS-95b75b4d-2
0.333
CHR-SOS-1f323c23-1
0.330
MAK-UNK-372b0df5-3
0.330