Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc(N(CCC3CCC3)C(=O)Nc3cncc4ccccc34)c2)N1 |
MW: | 464.16 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 83.56 |
cLogP: | 5.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
MAT-POS-53907a1c-3
ALF-EVA-650655fc-3
0.956
ALF-EVA-650655fc-1
0.954
MAT-POS-53907a1c-3
0.935
ALF-EVA-650655fc-6
0.856
ALF-EVA-650655fc-7
0.840
ALF-EVA-650655fc-8
0.820
ALF-EVA-650655fc-4
0.812
ALF-EVA-650655fc-5
0.670
RYA-UNI-8a7f7a0d-1
0.635
MAR-UCB-ad2ff052-3
0.629
DAR-DIA-1d7f034a-1
0.629
MIC-UNK-cdc2493e-1
0.590
MAT-POS-3b92565d-3
0.583
EDJ-MED-7320d5d2-1
0.583
ALP-POS-3b848b35-2
0.583
EDJ-MED-c314995a-1
0.578
VLA-UCB-05e51b3f-14
0.578
ADA-UCB-dc2b944c-17
0.528
ADA-UCB-dc2b944c-3
0.528
MAR-UCB-ad2ff052-2
0.519
ADA-UCB-dc2b944c-2
0.509
FRA-DIA-b66f7109-2
0.500
FRA-DIA-b66f7109-4
0.500
MAT-POS-9ff17035-1
0.495
MIC-UNK-cdc2493e-15
0.477
MIC-UNK-cdc2493e-2
0.477
PET-UNK-cf04cb02-1
0.477
MIC-UNK-bcd487e9-3
0.477
FRA-DIA-b66f7109-1
0.474
EDJ-MED-50011917-2
0.473
MAT-UCB-93f6aed8-1
0.470
FRA-DIA-b66f7109-3
0.470
MIC-UNK-bcd487e9-2
0.468
MAT-POS-136e7878-2
0.459
DAR-DIA-667e571f-7
0.455
ERI-UCB-ce40166b-5
0.451
MAR-UCB-ad2ff052-1
0.450
MIC-UNK-bcd487e9-4
0.446
VLA-UCB-05e51b3f-12
0.444
VLA-UCB-50c39ae8-9
0.444
MAT-POS-53907a1c-2
0.443
VLA-UCB-34f3ed0c-13
0.442
VLA-UCB-34f3ed0c-6
0.442
ADA-UCB-dc2b944c-6
0.440
ALF-EVA-0b412456-4
0.440
ALF-EVA-0b412456-1
0.439
MIC-UNK-cdc2493e-23
0.436
MIC-UNK-cdc2493e-3
0.436
MIC-UNK-cdc2493e-19
0.436
MIC-UNK-bcd487e9-6
0.434
ALF-EVA-0b412456-7
0.433
EDJ-MED-50011917-1
0.432
RAL-THA-065e0743-2
0.430
MIC-UNK-cdc2493e-4
0.429
ALF-EVA-0b412456-3
0.427
MIC-UNK-cdc2493e-22
0.426
VLA-UCB-05e51b3f-11
0.425
VLA-UCB-50c39ae8-8
0.425
MIC-UNK-cdc2493e-16
0.425
MIC-UNK-cdc2493e-24
0.425
ALF-EVA-0b412456-5
0.424
ALF-EVA-0b412456-2
0.424
ALF-EVA-0b412456-6
0.424
PET-UNK-a17c93d1-1
0.422
RAY-UNI-5365d7e5-1
0.420
DAR-DIA-0587064e-3
0.420
MIC-UNK-cdc2493e-5
0.416
MIC-UNK-bcd487e9-10
0.416
MIC-UNK-cdc2493e-6
0.414
EDJ-MED-50011917-3
0.414
MIC-UNK-cdc2493e-20
0.412
MIC-UNK-bcd487e9-7
0.412
MIC-UNK-cdc2493e-11
0.411
MIC-UNK-bcd487e9-5
0.411
ALP-POS-fab80cf2-1
0.410
MIC-UNK-cdc2493e-7
0.410
ADA-UCB-dc2b944c-18
0.410
ALF-EVA-0b412456-8
0.410
MIC-UNK-bcd487e9-1
0.409
MIC-UNK-cdc2493e-17
0.407
RYA-UNI-14580791-1
0.404
MIC-UNK-cdc2493e-12
0.404
MIC-UNK-cdc2493e-13
0.403
MIC-UNK-cdc2493e-8
0.403
RAL-THA-2d450e86-18
0.402
ALP-POS-3b848b35-1
0.402
MAT-POS-3b92565d-2
0.402
VLA-UCB-34f3ed0c-7
0.402
MIC-UNK-bcd487e9-8
0.400
DAR-DIA-53551c05-11
0.400
MIC-UNK-cdc2493e-14
0.397
MIC-UNK-cdc2493e-18
0.397
ALP-POS-fe871b40-2
0.397
MIC-UNK-bcd487e9-9
0.397
MIC-UNK-cdc2493e-9
0.393
MIC-UNK-cdc2493e-21
0.393
MIC-UNK-cdc2493e-10
0.390
MIC-UNK-c66144cb-3
0.390
ALP-POS-3b848b35-4
0.390
PET-UNK-c5865d42-1
0.389