Molecular Properties | |
SMILES: | CCCCC(C(=O)Nc1cnccc1C)c1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 401.15 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 80.32 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
Long aliphatic chain
ALP-POS-3fc1724e-6
0.755
ALP-POS-3fc1724e-5
0.747
TRY-UNI-2eddb1ff-8
0.713
MAR-UCB-ad2ff052-2
0.571
ALP-POS-3fc1724e-7
0.564
TRY-UNI-2eddb1ff-7
0.536
WIL-MOD-03b86a88-1
0.536
MAR-UCB-ad2ff052-1
0.525
MAR-UCB-ad2ff052-3
0.519
DAR-DIA-1d7f034a-1
0.519
JAN-GHE-83b26c96-8
0.489
RAL-THA-901e9a10-6
0.465
JAN-GHE-74b8b0cb-2
0.464
RAL-THA-901e9a10-1
0.455
RAL-THA-901e9a10-5
0.451
RAL-THA-901e9a10-2
0.447
ALP-POS-a30bcdb4-2
0.436
BRU-LEF-c49414a7-1
0.436
RAL-THA-901e9a10-7
0.436
RAL-THA-901e9a10-3
0.434
TRY-UNI-2eddb1ff-6
0.434
RAL-THA-901e9a10-4
0.434
EDG-MED-0da5ad92-5
0.421
RAL-THA-901e9a10-8
0.419
DAR-DIA-23e5a6a0-30
0.415
DAR-DIA-23e5a6a0-24
0.407
MAT-POS-c478e61b-2
0.405
BEN-DND-93268d01-3
0.402
MAK-UNK-f203cb68-16
0.400
DAR-DIA-23e5a6a0-22
0.396
TRY-UNI-2eddb1ff-5
0.396
JAN-GHE-83b26c96-4
0.396
TRY-UNI-2eddb1ff-4
0.396
TRY-UNI-714a760b-18
0.396
JAN-GHE-83b26c96-5
0.396
MAT-POS-1e5f28a7-1
0.394
DAR-DIA-23e5a6a0-26
0.391
TRY-UNI-2eddb1ff-3
0.389
DAR-DIA-23e5a6a0-28
0.389
MAK-UNK-f203cb68-3
0.388
DAN-RED-da448e80-9
0.386
BEN-DND-93268d01-2
0.385
TRY-UNI-bbd40bb4-6
0.385
MAK-UNK-f203cb68-7
0.383
SAM-UNK-2684b532-10
0.381
DAN-RED-da448e80-13
0.379
WIL-MOD-03b86a88-4
0.374
SAM-UNK-2684b532-1
0.373
MAT-POS-136e7878-2
0.372
WIL-MOD-03b86a88-3
0.369
MAK-UNK-f203cb68-19
0.368
ALF-EVA-0b412456-4
0.368
MAK-UNK-f203cb68-1
0.367
DAN-RED-da448e80-1
0.366
PED-UNI-8d53fd73-1
0.366
PED-UNI-5b7f1100-1
0.366
DRE-WAB-eb790b7a-1
0.366
MAT-POS-590ac91e-5
0.366
VLA-UCB-05e51b3f-2
0.364
NAU-LAT-a5c7d7cb-3
0.364
TRY-UNI-bbd40bb4-2
0.364
MAT-POS-590ac91e-1
0.364
MAT-POS-590ac91e-2
0.364
ERI-UCB-5b47150d-1
0.364
JAN-GHE-83b26c96-9
0.364
ADA-UCB-6c2cb422-9
0.363
DAN-RED-da448e80-17
0.363
BAR-COM-0f94fc3d-19
0.360
DAN-RED-da448e80-5
0.359
MAT-POS-53907a1c-2
0.359
DAR-DIA-53551c05-7
0.358
ALF-EVA-650655fc-1
0.358
RAL-THA-065e0743-2
0.357
JAN-GHE-83b26c96-10
0.356
MAT-POS-c9973a83-1
0.356
ALF-EVA-0b412456-3
0.356
MAK-UNK-f203cb68-15
0.356
TRY-UNI-bbd40bb4-5
0.355
AHN-SAT-202241f6-1
0.351
TRY-UNI-714a760b-17
0.351
MAT-POS-6c3d76b3-1
0.350
MAT-POS-0d6fb2dd-1
0.350
MAK-UNK-f203cb68-22
0.348
MAT-POS-590ac91e-16
0.348
MAT-POS-5d20d11c-1
0.348
MAT-POS-590ac91e-14
0.347
ALF-EVA-650655fc-2
0.347
MAT-POS-53907a1c-3
0.346
RAL-MED-2de63afb-16
0.346
RAL-MED-2de63afb-15
0.346
ALP-POS-3b848b35-2
0.345
MAT-POS-3b92565d-3
0.345
EDJ-MED-7320d5d2-1
0.345
ALF-EVA-650655fc-4
0.344
DAR-DIA-0cde14eb-71
0.343
MAK-UNK-f203cb68-20
0.342
ERI-UCB-ce40166b-5
0.342
ALF-EVA-0b412456-1
0.342
ALF-EVA-0b412456-6
0.342
ALF-EVA-0b412456-2
0.342