Molecular Properties | |
SMILES: | NCc1ccc2cncc(NC(=O)Cc3cc(Cl)cc(OC4CC(=O)N4)c3)c2c1 |
MW: | 410.11 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 106.34 |
cLogP: | 2.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
ALP-POS-3b848b35-2
ALF-EVA-0b412456-1
0.775
ALF-EVA-0b412456-2
0.742
ALF-EVA-0b412456-8
0.711
ALP-POS-3b848b35-2
0.707
EDJ-MED-7320d5d2-1
0.707
MAT-POS-3b92565d-3
0.707
ALF-EVA-0b412456-4
0.660
ALF-EVA-0b412456-6
0.653
ALF-EVA-0b412456-3
0.643
ALF-EVA-0b412456-7
0.627
MAT-POS-9ff17035-1
0.600
PET-UNK-cf04cb02-1
0.582
TRY-UNI-2eddb1ff-7
0.579
WIL-MOD-03b86a88-1
0.579
RAL-THA-065e0743-2
0.524
MAT-POS-3b92565d-6
0.500
MAT-POS-3b92565d-9
0.500
BEN-DND-b89db3f2-3
0.485
ALP-POS-a30bcdb4-1
0.476
ALF-EVA-650655fc-5
0.472
DAR-DIA-0587064e-3
0.471
MAT-POS-3b92565d-2
0.469
ALP-POS-3b848b35-1
0.469
RAL-THA-2d450e86-18
0.469
EDJ-MED-50011917-1
0.457
DAR-DIA-23e5a6a0-30
0.452
ERI-UCB-ce40166b-5
0.450
ALF-EVA-82cf4849-10
0.450
ERI-UCB-b3e6b0c2-2
0.449
DAR-DIA-23e5a6a0-24
0.443
MAT-POS-c478e61b-1
0.440
MAT-POS-3b92565d-12
0.440
RYA-UNI-8a7f7a0d-1
0.439
ALF-EVA-650655fc-1
0.439
DAR-DIA-0587064e-4
0.438
PET-UNK-8c422e11-3
0.437
MIC-UNK-16ccb665-1
0.437
JAN-GHE-74b8b0cb-1
0.436
MAT-POS-90fd5f68-40
0.434
MAT-POS-9ff17035-3
0.434
PET-UNK-bb7ffe78-2
0.433
EDJ-MED-50011917-2
0.432
DAR-DIA-23e5a6a0-22
0.431
DAR-DIA-0587064e-5
0.430
DAR-DIA-0587064e-6
0.427
MAT-POS-90fd5f68-39
0.427
ERI-UCB-b3e6b0c2-1
0.426
DAR-DIA-23e5a6a0-26
0.426
DAR-DIA-0587064e-2
0.425
PET-UNK-8c422e11-4
0.425
ALF-EVA-650655fc-2
0.424
ERI-UCB-b3e6b0c2-3
0.423
MAT-POS-9ff17035-2
0.423
RAL-THA-901e9a10-1
0.423
MAT-POS-fce787c2-2
0.421
ROB-UNI-611831f5-1
0.421
RAL-THA-1d44ff04-1
0.420
ALP-POS-fab80cf2-1
0.420
RAL-THA-901e9a10-5
0.419
RAL-THA-901e9a10-6
0.419
ALF-EVA-650655fc-3
0.417
RAL-THA-1d44ff04-12
0.416
RAL-THA-901e9a10-2
0.415
DAR-DIA-0587064e-7
0.413
MAT-POS-90fd5f68-19
0.412
DAR-DIA-23e5a6a0-28
0.411
MAT-POS-53907a1c-3
0.410
DAR-DIA-0587064e-1
0.409
FRA-DIA-b66f7109-2
0.409
MAT-POS-90fd5f68-26
0.407
RAL-THA-1d44ff04-2
0.407
NAU-LAT-0543f7f2-9
0.405
RAL-THA-901e9a10-3
0.404
TRY-UNI-2eddb1ff-6
0.404
RAL-THA-901e9a10-4
0.404
ALF-EVA-650655fc-6
0.403
MAT-POS-90fd5f68-37
0.402
PET-UNK-c5865d42-1
0.398
PET-UNK-8df914d1-1
0.398
EDJ-MED-00c1612e-1
0.398
RAL-THA-1d44ff04-4
0.398
ALF-EVA-650655fc-8
0.397
WIL-MOD-03b86a88-4
0.396
FRA-DIA-b66f7109-3
0.395
DAR-DIA-0587064e-8
0.395
ALF-EVA-650655fc-4
0.394
MAT-POS-281d2ee9-1
0.393
MAT-POS-90fd5f68-24
0.393
PET-UNK-7fb4f80a-2
0.393
ALF-EVA-650655fc-7
0.391
PET-UNK-c5865d42-2
0.389
FRA-DIA-b66f7109-1
0.385
FRA-DIA-b66f7109-4
0.385
RAL-THA-2d450e86-14
0.382
RAL-THA-2d450e86-15
0.382
MAT-POS-90fd5f68-25
0.381
PET-UNK-d899bab6-1
0.381
MAT-POS-c9973a83-1
0.380
PET-UNK-bb7ffe78-1
0.379
RUB-POS-1325a9ea-4
0.379