Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2cc(OCC3CC3)ccc12 |
MW: | 451.13 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 89.55 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
ALP-POS-3b848b35-2
ALF-EVA-0b412456-3
0.719
ALF-EVA-0b412456-4
0.719
ALF-EVA-0b412456-6
0.711
ALP-POS-3b848b35-2
0.695
MAT-POS-3b92565d-3
0.695
EDJ-MED-7320d5d2-1
0.695
ALF-EVA-0b412456-1
0.653
ALF-EVA-0b412456-2
0.644
ALF-EVA-0b412456-5
0.627
MAT-POS-9ff17035-1
0.608
ALF-EVA-0b412456-8
0.604
PET-UNK-cf04cb02-1
0.574
DAR-DIA-0587064e-3
0.570
TRY-UNI-2eddb1ff-7
0.556
WIL-MOD-03b86a88-1
0.556
RAL-THA-065e0743-2
0.519
MAT-POS-3b92565d-9
0.495
MAT-POS-3b92565d-6
0.495
EDJ-MED-50011917-1
0.467
BEN-DND-b89db3f2-3
0.466
MAT-POS-3b92565d-2
0.465
RAL-THA-2d450e86-18
0.465
ALP-POS-3b848b35-1
0.465
MAT-POS-90fd5f68-15
0.464
ALP-POS-a30bcdb4-1
0.459
MAT-POS-90fd5f68-5
0.458
ALF-EVA-650655fc-1
0.448
MAT-POS-90fd5f68-13
0.445
DAR-DIA-0587064e-5
0.440
MAT-POS-90fd5f68-16
0.440
DAR-DIA-0587064e-6
0.438
DAR-DIA-23e5a6a0-26
0.436
DAR-DIA-0587064e-4
0.435
DAR-DIA-23e5a6a0-30
0.435
DAR-DIA-0587064e-2
0.435
MAT-POS-90fd5f68-14
0.435
MIC-UNK-16ccb665-1
0.434
PET-UNK-8c422e11-3
0.434
ALF-EVA-650655fc-2
0.433
MAT-POS-c20a539d-1
0.433
MAT-POS-9ff17035-3
0.431
PET-UNK-bb7ffe78-2
0.430
ALP-POS-fab80cf2-1
0.430
EDJ-MED-50011917-2
0.430
RAL-THA-1d44ff04-1
0.430
DAR-DIA-23e5a6a0-22
0.429
DAR-DIA-23e5a6a0-24
0.427
ALF-EVA-650655fc-3
0.426
PET-UNK-7fb4f80a-1
0.426
MAT-POS-90fd5f68-6
0.425
ALF-EVA-650655fc-6
0.424
RYA-UNI-8a7f7a0d-1
0.424
DAR-DIA-0587064e-7
0.423
PET-UNK-8c422e11-4
0.422
PET-UNK-c5865d42-1
0.422
JAN-GHE-74b8b0cb-1
0.421
MAT-POS-9ff17035-2
0.421
RAL-THA-901e9a10-1
0.421
WIL-MOD-03b86a88-4
0.421
DAR-DIA-0587064e-1
0.420
MAT-POS-53907a1c-3
0.419
RAL-THA-1d44ff04-2
0.417
NAU-LAT-0543f7f2-9
0.416
RAL-THA-1d44ff04-12
0.414
MAT-POS-c478e61b-1
0.412
MAT-POS-3b92565d-12
0.412
ALF-EVA-650655fc-7
0.411
ERI-UCB-ce40166b-5
0.409
ROB-UNI-611831f5-1
0.407
ALF-EVA-650655fc-8
0.406
DAR-DIA-0587064e-8
0.405
MAT-POS-fce787c2-2
0.404
RAL-THA-901e9a10-5
0.404
RAL-THA-901e9a10-6
0.404
ALF-EVA-650655fc-4
0.403
RAL-THA-901e9a10-3
0.402
TRY-UNI-2eddb1ff-6
0.402
RAL-THA-901e9a10-2
0.400
MAT-POS-90fd5f68-38
0.400
DAR-DIA-23e5a6a0-28
0.397
MAT-POS-90fd5f68-8
0.396
RAL-THA-2d450e86-15
0.394
ALF-EVA-650655fc-5
0.391
RAL-THA-901e9a10-4
0.389
MAT-POS-281d2ee9-3
0.389
PET-UNK-c5865d42-2
0.388
RAL-THA-1d44ff04-7
0.384
FRA-DIA-b66f7109-2
0.383
MAT-POS-90fd5f68-1
0.383
RAL-THA-2d450e86-14
0.381
RAL-THA-2d450e86-17
0.380
MAT-POS-cc05818f-1
0.380
RAL-THA-1d44ff04-9
0.378
MAT-POS-281d2ee9-1
0.378
RAL-THA-1d44ff04-11
0.378
PET-UNK-bb7ffe78-1
0.377
MAT-POS-90fd5f68-41
0.376
RAL-THA-1d44ff04-10
0.376
PET-UNK-372a2f82-1
0.374
EDJ-MED-50011917-3
0.373