Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2cncc3ccccc23)CC1COC1CC(=O)N1 |
MW: | 368.18 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 74.77 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
MIC-UNK-460e637d-3
0.641
MIC-UNK-460e637d-1
0.598
MIC-UNK-a28eba03-2
0.512
MIC-UNK-a28eba03-4
0.483
MIC-UNK-a28eba03-1
0.473
ERI-UCB-ce40166b-9
0.457
MIC-UNK-a28eba03-3
0.446
ERI-UCB-ce40166b-1
0.441
ERI-UCB-ce40166b-5
0.434
ERI-UCB-ce40166b-10
0.431
ERI-UCB-ce40166b-2
0.411
ERI-UCB-ce40166b-6
0.409
JUL-TUD-06b2044f-52
0.404
MAK-UNK-b7886382-4
0.374
NAU-LAT-a5c7d7cb-5
0.365
MAK-UNK-b7886382-5
0.364
DAR-DIA-23aa0b97-20
0.363
DAR-DIA-23aa0b97-19
0.360
UNK-UNK-2ede4078-90
0.358
JOH-UNI-ea1df7a8-1
0.355
EDJ-MED-50011917-2
0.354
DAR-DIA-6a49afbe-9
0.351
DAR-DIA-6a49afbe-8
0.350
DAR-DIA-6a49afbe-1
0.347
PET-UNK-8922bd3c-1
0.343
MAK-UNK-b7886382-3
0.343
DAR-DIA-6a49afbe-4
0.342
DAR-DIA-6a49afbe-2
0.340
DAR-DIA-6a49afbe-3
0.339
NAU-LAT-2fed8305-8
0.337
DAR-DIA-6a49afbe-7
0.337
ERI-UCB-ce40166b-12
0.336
DAR-DIA-53551c05-11
0.336
EDJ-MED-50011917-3
0.333
ALP-POS-25b4df59-1
0.333
FRA-DIA-b66f7109-2
0.333
ERI-UCB-ce40166b-11
0.331
DAR-DIA-6a49afbe-10
0.330
ALP-POS-64a710fa-2
0.327
EDJ-MED-7320d5d2-1
0.325
ALP-POS-3b848b35-2
0.325
MAT-POS-3b92565d-3
0.325
DAR-DIA-6a49afbe-11
0.324
DAR-DIA-6a49afbe-12
0.324
FRA-DIA-b66f7109-3
0.322
JUL-TUD-06b2044f-53
0.322
ALP-POS-25b4df59-2
0.321
ERI-UCB-ce40166b-4
0.321
ALP-POS-64a710fa-1
0.319
ERI-UCB-ce40166b-3
0.319
DAR-DIA-6a49afbe-6
0.317
ALF-EVA-650655fc-4
0.315
DAR-DIA-6a508060-1
0.315
DAR-DIA-6a49afbe-5
0.314
ERI-UCB-ce40166b-8
0.312
MAT-POS-173a45da-1
0.310
MIC-UNK-d36ab305-6
0.309
ALP-POS-c3a96089-1
0.309
ERI-UCB-ce40166b-7
0.308
PET-UNK-1901c25b-1
0.306
MAT-POS-9ff17035-1
0.305
ALP-POS-7c6e02c7-1
0.304
ALP-POS-c3a96089-2
0.304
FRA-DIA-b66f7109-4
0.300
FRA-DIA-b66f7109-1
0.300
AAR-POS-d2a4d1df-40
0.299
MED-COV-4280ac29-31
0.299
ALP-POS-75715966-2
0.298
DAR-DIA-fb20be43-6
0.298
MIC-UNK-9582b2c5-1
0.298
ALP-POS-6747fa38-1
0.297
VLA-UCB-05e51b3f-1
0.297
NIR-THE-d08c3b48-1
0.297
NAU-LAT-a5c7d7cb-1
0.297
BEN-DND-6de5dfa0-11
0.297
MIC-UNK-d854bf4c-4
0.297
MAT-POS-6344a35d-1
0.297
ALF-EVA-650655fc-1
0.295
MAK-UNK-b7886382-2
0.295
ALP-POS-b3306dea-1
0.293
DAR-DIA-53551c05-6
0.293
MIC-UNK-d854bf4c-3
0.292
BEN-DND-d1eb1f41-7
0.291
MAT-POS-24589f88-14
0.291
RAL-THA-065e0743-2
0.291
EDJ-MED-50011917-1
0.289
DAR-DIA-fb20be43-7
0.288
MIC-UNK-5b1ead09-1
0.288
MIC-UNK-d36ab305-3
0.287
NAU-LAT-a5c7d7cb-4
0.287
EDJ-MED-fd8ed875-5
0.287
ALF-EVA-650655fc-2
0.286
DAR-DIA-53551c05-10
0.286
NAU-LAT-a5c7d7cb-2
0.286
MAK-UNK-b7886382-1
0.286
JUL-TUD-06b2044f-69
0.286
NIR-THE-590dedc7-1
0.286
MIC-UNK-6ab519a7-1
0.286
MIC-UNK-5a93dd5f-10
0.286
RYA-UNI-8a7f7a0d-1
0.285