Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccc(Cl)cc12 |
MW: | 415.05 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
ALP-POS-3b848b35-2
ALF-EVA-0b412456-2
0.775
ALF-EVA-0b412456-5
0.775
ALF-EVA-0b412456-8
0.742
ALP-POS-3b848b35-2
0.739
EDJ-MED-7320d5d2-1
0.739
MAT-POS-3b92565d-3
0.739
ALF-EVA-0b412456-4
0.688
ALF-EVA-0b412456-6
0.681
ALF-EVA-0b412456-3
0.670
ALF-EVA-0b412456-7
0.653
MAT-POS-9ff17035-1
0.625
PET-UNK-cf04cb02-1
0.606
TRY-UNI-2eddb1ff-7
0.604
WIL-MOD-03b86a88-1
0.604
RAL-THA-065e0743-2
0.545
BEN-DND-b89db3f2-3
0.521
MAT-POS-3b92565d-6
0.520
MAT-POS-3b92565d-9
0.520
ALP-POS-a30bcdb4-1
0.495
DAR-DIA-0587064e-3
0.490
MAT-POS-3b92565d-2
0.489
ALP-POS-3b848b35-1
0.489
RAL-THA-2d450e86-18
0.489
DAR-DIA-23e5a6a0-30
0.470
DAR-DIA-23e5a6a0-24
0.461
EDJ-MED-50011917-1
0.461
DAR-DIA-0587064e-6
0.457
PET-UNK-8c422e11-3
0.455
RAL-THA-901e9a10-1
0.455
RYA-UNI-8a7f7a0d-1
0.455
MIC-UNK-16ccb665-1
0.455
ALF-EVA-650655fc-1
0.455
ERI-UCB-ce40166b-5
0.453
MAT-POS-9ff17035-3
0.451
RAL-THA-901e9a10-6
0.450
PET-UNK-bb7ffe78-2
0.450
EDJ-MED-50011917-2
0.449
DAR-DIA-23e5a6a0-22
0.448
DAR-DIA-0587064e-5
0.447
DAR-DIA-23e5a6a0-26
0.442
DAR-DIA-0587064e-4
0.441
DAR-DIA-0587064e-2
0.441
PET-UNK-8c422e11-4
0.441
JAN-GHE-74b8b0cb-1
0.439
MAT-POS-9ff17035-2
0.439
ALF-EVA-650655fc-5
0.439
ALF-EVA-650655fc-2
0.439
MAT-POS-90fd5f68-26
0.437
RAL-THA-901e9a10-5
0.436
RAL-THA-1d44ff04-1
0.435
RAL-THA-1d44ff04-2
0.435
ALP-POS-fab80cf2-1
0.435
MAT-POS-90fd5f68-37
0.433
RAL-THA-901e9a10-2
0.431
RAL-THA-1d44ff04-12
0.431
ALF-EVA-650655fc-3
0.431
MAT-POS-c478e61b-1
0.430
MAT-POS-3b92565d-12
0.430
EDJ-MED-00c1612e-1
0.429
PET-UNK-8df914d1-1
0.429
DAR-DIA-0587064e-7
0.429
DAR-DIA-23e5a6a0-28
0.426
DAR-DIA-0587064e-1
0.425
MAT-POS-fce787c2-2
0.424
MAT-POS-53907a1c-3
0.424
FRA-DIA-b66f7109-2
0.423
ROB-UNI-611831f5-1
0.423
DAR-DIA-0587064e-8
0.422
MAT-POS-90fd5f68-24
0.422
PET-UNK-7fb4f80a-2
0.422
NAU-LAT-0543f7f2-9
0.421
RAL-THA-901e9a10-3
0.419
TRY-UNI-2eddb1ff-6
0.419
RAL-THA-901e9a10-4
0.419
ALF-EVA-650655fc-6
0.417
MAT-POS-29385cc1-2
0.416
MAT-POS-90fd5f68-19
0.414
PET-UNK-c5865d42-1
0.413
WIL-MOD-03b86a88-4
0.412
MAT-POS-90fd5f68-25
0.410
PET-UNK-d899bab6-1
0.410
ALF-EVA-650655fc-8
0.410
FRA-DIA-b66f7109-3
0.409
RUB-POS-1325a9ea-4
0.408
PET-UNK-bb7ffe78-1
0.408
MAT-POS-90fd5f68-40
0.408
ALF-EVA-650655fc-4
0.407
MAT-POS-90fd5f68-20
0.406
MAT-POS-281d2ee9-3
0.406
MAT-POS-90fd5f68-33
0.404
PET-UNK-c5865d42-2
0.404
ALF-EVA-650655fc-7
0.403
MAT-POS-f7918075-5
0.402
MAT-POS-90fd5f68-39
0.402
MAT-POS-90fd5f68-23
0.400
ROB-UNI-6ee2df8c-1
0.400
MAT-POS-90fd5f68-28
0.400
FRA-DIA-b66f7109-1
0.398
FRA-DIA-b66f7109-4
0.398
MAT-POS-90fd5f68-21
0.398