Molecular Properties | |
SMILES: | O=C1CC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1 |
MW: | 393.13 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 109.52 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
Aliphatic long chain
b-lactam
ERI-UCB-ce40166b-14
0.867
ERI-UCB-ce40166b-17
0.733
ALP-POS-3fc1724e-2
0.733
NAU-LAT-a5c7d7cb-7
0.663
ERI-UCB-ce40166b-18
0.656
ERI-UCB-ce40166b-16
0.649
BEN-DND-7e92b6ca-5
0.646
ERI-UCB-ce40166b-15
0.638
MAT-POS-916a2c5a-2
0.543
ALP-POS-3fc1724e-1
0.542
ERI-UCB-ce40166b-20
0.529
ALP-POS-05819dc4-1
0.526
ERI-UCB-ce40166b-19
0.519
MAT-UCB-70f7c0f7-1
0.500
MAT-UCB-70f7c0f7-2
0.477
ERI-UCB-ce40166b-21
0.471
DAR-DIA-8e329c92-10
0.469
MAR-UCB-f313ec4d-4
0.459
DAR-DIA-8e329c92-9
0.458
BEN-DND-7e92b6ca-4
0.457
BEN-DND-7e92b6ca-3
0.448
ADA-UCB-b1b30a00-1
0.436
MAT-POS-54c4bf04-1
0.426
ADA-UCB-b1b30a00-2
0.419
JAN-GHE-82a280f8-3
0.419
MAT-UCB-70f7c0f7-4
0.412
NAU-LAT-56d5284e-6
0.404
DAR-DIA-8e329c92-12
0.404
DAR-DIA-8e329c92-11
0.400
DAR-DIA-8e329c92-4
0.400
MAT-UCB-70f7c0f7-3
0.393
NAU-LAT-56d5284e-4
0.390
ALP-UNI-ed5cdfd2-7
0.390
NAU-LAT-56d5284e-7
0.388
MAT-POS-3b92565d-6
0.382
DAR-DIA-8e329c92-6
0.377
MAT-POS-590ac91e-32
0.377
DAR-DIA-53551c05-15
0.374
MAT-POS-590ac91e-42
0.374
KRI-MAR-d2e3ef86-12
0.365
DAR-DIA-8e329c92-13
0.361
DAR-DIA-8e329c92-5
0.360
JAN-GHE-82a280f8-2
0.355
ALP-UNI-ed5cdfd2-4
0.352
ALP-POS-bea7b391-1
0.351
KRI-MAR-d2e3ef86-15
0.349
DAR-DIA-8e329c92-7
0.348
NAU-LAT-a5c7d7cb-9
0.346
ERI-UCB-a0b0dbcb-1
0.345
EDJ-MED-bbe8e3da-2
0.345
UNK-UNK-2ede4078-28
0.343
RAL-MED-2de63afb-11
0.340
RAL-MED-2de63afb-5
0.340
BEN-DND-7e92b6ca-2
0.340
NAU-LAT-56d5284e-1
0.340
EDJ-MED-6af13d92-3
0.336
NAU-LAT-56d5284e-2
0.336
MAT-POS-590ac91e-46
0.333
DAR-DIA-8e329c92-8
0.333
ERI-UCB-a0b0dbcb-5
0.333
BEN-DND-7e92b6ca-12
0.333
MAT-POS-590ac91e-47
0.333
MAR-UCB-f313ec4d-5
0.333
MAT-POS-590ac91e-53
0.331
ERI-UCB-a0b0dbcb-11
0.330
EDJ-MED-edeb0d3a-1
0.330
BEN-DND-b89db3f2-5
0.330
RAL-MED-2de63afb-6
0.330
EDJ-MED-6af13d92-1
0.327
EDJ-MED-6af13d92-2
0.327
ERI-UCB-a0b0dbcb-9
0.327
BEN-DND-7e92b6ca-13
0.327
RAL-MED-2de63afb-9
0.326
ALP-POS-fc6c627f-3
0.325
ERI-UCB-a0b0dbcb-8
0.324
NAU-LAT-56d5284e-3
0.324
BEN-DND-7e92b6ca-9
0.324
ALP-UNI-ed5cdfd2-5
0.324
ALP-UNI-ed5cdfd2-8
0.324
NAU-LAT-56d5284e-5
0.324
EDJ-MED-bbe8e3da-4
0.322
ERI-UCB-a0b0dbcb-6
0.321
BEN-DND-7e92b6ca-6
0.320
ERI-UCB-ce40166b-1
0.319
NAU-LAT-56d5284e-8
0.318
ERI-UCB-a0b0dbcb-12
0.318
ERI-UCB-d6de1f3c-1
0.318
ALP-UNI-ed5cdfd2-6
0.318
EDJ-MED-bbe8e3da-1
0.317
ALP-POS-ddb41b15-4
0.317
RAL-MED-2de63afb-10
0.316
KRI-MAR-d2e3ef86-13
0.315
BEN-DND-7e92b6ca-11
0.315
BEN-DND-7e92b6ca-16
0.314
ALP-POS-a30bcdb4-1
0.313
VLA-UCB-eb340134-1
0.312
VLA-UNK-eaa804fd-3
0.312
MAT-POS-3b536971-1
0.310
EDJ-MED-edeb0d3a-2
0.310
EDJ-MED-d1cd9639-1
0.310