Molecular Properties | |
SMILES: | CNCc1ccc2cncc(NC(=O)N(CCC3CCCCC3)c3cc(Cl)cc(OC4CC(=O)N4)c3)c2c1 |
MW: | 535.24 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 95.59 |
cLogP: | 5.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
MAT-POS-53907a1c-3
MAT-POS-53907a1c-3
0.721
ALF-EVA-650655fc-3
0.688
ALF-EVA-650655fc-2
0.670
ALF-EVA-650655fc-1
0.649
DAR-DIA-1d7f034a-1
0.643
MAR-UCB-ad2ff052-3
0.643
ALF-EVA-650655fc-7
0.602
ALF-EVA-650655fc-6
0.595
ALF-EVA-650655fc-8
0.585
ALF-EVA-650655fc-4
0.581
MAT-POS-136e7878-2
0.483
MAR-UCB-ad2ff052-2
0.475
ALF-EVA-0b412456-5
0.472
MAT-POS-53907a1c-2
0.467
MAT-UCB-93f6aed8-1
0.445
RAY-UNI-5365d7e5-1
0.444
DAR-DIA-667e571f-7
0.443
ALF-EVA-0b412456-1
0.439
EDJ-MED-c314995a-1
0.438
VLA-UCB-05e51b3f-14
0.438
ALF-EVA-0b412456-2
0.437
RYA-UNI-8a7f7a0d-1
0.430
ALF-EVA-0b412456-8
0.423
ALF-EVA-0b412456-4
0.417
ALF-EVA-0b412456-6
0.414
MIC-UNK-cdc2493e-1
0.410
ALP-POS-3b848b35-2
0.408
EDJ-MED-7320d5d2-1
0.408
MAT-POS-3b92565d-3
0.408
MAR-UCB-ad2ff052-1
0.402
ADA-UCB-dc2b944c-3
0.402
ADA-UCB-dc2b944c-17
0.402
ADA-UCB-dc2b944c-2
0.400
ALP-POS-3fc1724e-5
0.398
ALF-EVA-0b412456-3
0.395
ALF-EVA-0b412456-7
0.391
MAT-POS-136e7878-1
0.382
VLA-UCB-50c39ae8-9
0.376
VLA-UCB-05e51b3f-12
0.376
FRA-DIA-b66f7109-2
0.371
ERI-UCB-ce40166b-5
0.362
WIL-MOD-03b86a88-1
0.352
TRY-UNI-2eddb1ff-7
0.352
MAT-UCB-93f6aed8-2
0.351
FRA-DIA-b66f7109-3
0.350
JOR-UNI-2fc98d0b-12
0.347
MAT-POS-9ff17035-1
0.346
RAL-THA-065e0743-2
0.344
MIC-UNK-bcd487e9-2
0.341
FRA-DIA-b66f7109-4
0.341
EDJ-MED-50011917-2
0.338
MIC-UNK-ea979c74-4
0.336
VLA-UCB-34f3ed0c-6
0.333
JAN-GHE-f4ca5a00-15
0.333
ALP-POS-3fc1724e-6
0.331
TRY-UNI-2eddb1ff-8
0.331
PET-UNK-cf04cb02-1
0.328
MAT-UCB-70f7c0f7-5
0.326
FRA-DIA-b66f7109-1
0.321
MIC-UNK-cdc2493e-2
0.321
MIC-UNK-cdc2493e-15
0.321
MAT-POS-173a45da-1
0.321
ERI-UCB-ce40166b-9
0.319
MIC-UNK-bcd487e9-3
0.315
DAR-DIA-667e571f-3
0.312
ALP-POS-3b848b35-4
0.311
MIC-UNK-c66144cb-3
0.311
JOR-UNI-61e7b1d5-19
0.309
PET-UNK-a17c93d1-1
0.309
DAR-DIA-667e571f-2
0.308
BEN-DND-b89db3f2-3
0.307
MIC-UNK-bcd487e9-4
0.306
ERI-UCB-ce40166b-6
0.304
TRY-UNI-2eddb1ff-6
0.303
RAL-THA-901e9a10-3
0.303
EDJ-MED-50011917-1
0.303
RAL-THA-901e9a10-5
0.302
RAL-THA-901e9a10-6
0.302
PET-UNK-fe31e24a-4
0.302
JAN-GHE-74b8b0cb-1
0.301
VLA-UCB-05e51b3f-13
0.301
DAR-DIA-6a508060-9
0.301
VLA-UCB-50c39ae8-10
0.301
DAR-DIA-667e571f-4
0.300
ERI-UCB-b3e6b0c2-2
0.299
ALP-POS-a30bcdb4-1
0.299
DAR-DIA-667e571f-5
0.298
JOR-UNI-61e7b1d5-18
0.298
DAR-DIA-53551c05-11
0.297
MAT-POS-3b92565d-6
0.296
MAT-POS-3b92565d-9
0.296
JAN-GHE-74b8b0cb-2
0.296
VLA-UCB-50c39ae8-8
0.296
VLA-UCB-05e51b3f-11
0.296
MIC-UNK-cdc2493e-3
0.295
MIC-UNK-cdc2493e-19
0.295
RAL-THA-901e9a10-1
0.295
RAL-THA-901e9a10-4
0.293
ERI-UCB-ce40166b-1
0.293
EDJ-MED-50011917-3
0.292