Molecular Properties | |
SMILES: | O=C1C(=O)N(Cc2cncc3ccccc23)c2cc(Br)ccc21 |
MW: | 366.0 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 50.27 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter9_metal
Filter41_12_dicarbonyl
aryl bromide
Ketone
DAR-DIA-53551c05-6
0.638
DAR-DIA-53551c05-12
0.605
DAR-DIA-53551c05-1
0.547
DAR-DIA-53551c05-19
0.537
DAR-DIA-53551c05-11
0.510
LOR-NEU-c8f11034-9
0.507
DAR-DIA-53551c05-9
0.379
DAR-DIA-53551c05-2
0.371
DAR-DIA-23aa0b97-20
0.346
MIC-UNK-a28eba03-2
0.333
DAR-DIA-53551c05-3
0.333
ERI-UCB-ce40166b-1
0.333
NAU-LAT-a5c7d7cb-8
0.330
PET-UNK-c9c1e0d8-1
0.330
DAR-DIA-53551c05-18
0.327
DAR-DIA-6a49afbe-4
0.327
PET-UNK-8922bd3c-1
0.326
MIC-UNK-a28eba03-4
0.326
DAR-DIA-53551c05-4
0.321
NAU-LAT-2fed8305-8
0.318
DAR-DIA-6a49afbe-9
0.318
ALP-POS-75715966-2
0.317
UNK-UNK-2ede4078-90
0.317
LOR-NEU-c8f11034-5
0.316
MAK-UNK-b7886382-4
0.315
DAR-DIA-23aa0b97-19
0.315
DAR-DIA-53551c05-21
0.315
DAR-DIA-6a49afbe-1
0.315
MAK-UNK-b7886382-3
0.312
MIC-UNK-a28eba03-3
0.311
ALP-POS-64a710fa-2
0.309
ERI-UCB-ce40166b-6
0.308
MIC-UNK-a28eba03-1
0.308
ERI-UCB-ce40166b-2
0.308
MIC-UNK-460e637d-1
0.307
JUL-TUD-06b2044f-112
0.306
ERI-UCB-ce40166b-10
0.306
DAR-DIA-53551c05-20
0.305
ERI-UCB-ce40166b-5
0.305
MIC-UNK-5b1ead09-1
0.305
DAR-DIA-6a49afbe-7
0.304
DAR-DIA-6a49afbe-8
0.304
MAT-POS-173a45da-1
0.304
ERI-UCB-ce40166b-4
0.303
ERI-UCB-ce40166b-9
0.302
ALP-POS-64a710fa-1
0.301
ERI-UCB-ce40166b-3
0.301
PET-UNK-1901c25b-1
0.300
JOH-UNI-ea1df7a8-1
0.300
LOR-NOR-30067bb9-6
0.300
DAR-DIA-6a49afbe-3
0.299
DAR-DIA-6a508060-1
0.297
MAT-POS-8d5af1ef-1
0.297
JUL-TUD-06b2044f-52
0.297
DAR-DIA-6a49afbe-5
0.296
EDJ-MED-eb111c00-4
0.296
EDJ-MED-cc48ee33-6
0.296
ERI-UCB-ce40166b-12
0.295
DAR-DIA-6a49afbe-2
0.295
ERI-UCB-ce40166b-8
0.294
DAR-DIA-53551c05-16
0.293
DAR-DIA-6a49afbe-12
0.293
LON-WEI-9739a092-3
0.291
MIC-UNK-d36ab305-6
0.290
ALP-POS-25b4df59-1
0.290
ALP-POS-c3a96089-1
0.290
ALP-POS-25b4df59-2
0.290
MAK-UNK-b7886382-1
0.290
ERI-UCB-ce40166b-7
0.290
DAR-DIA-53551c05-5
0.289
MAT-POS-23a8a11a-1
0.289
DAR-DIA-53551c05-7
0.288
DAR-DIA-70d163b2-1
0.287
MIC-UNK-482af05e-4
0.287
PET-UNK-37251634-14
0.287
PET-UNK-37251634-2
0.287
PET-UNK-37251634-6
0.287
PET-UNK-37251634-10
0.287
EDJ-MED-33064c06-3
0.286
ALP-POS-b3306dea-1
0.286
RAL-THA-2d450e86-13
0.286
MIC-UNK-460e637d-2
0.286
RAL-THA-2d450e86-34
0.286
ALP-POS-7c6e02c7-1
0.286
ALP-POS-b3e0acc5-1
0.286
EDJ-MED-fed7ac0b-1
0.284
MIC-UNK-482af05e-3
0.284
MAT-POS-11b63608-1
0.284
MAK-UNK-b7886382-5
0.284
RAL-THA-2d450e86-36
0.284
LOR-NOR-c954e7ad-1
0.284
JUL-TUD-06b2044f-53
0.283
MIC-UNK-460e637d-3
0.283
PET-UNK-f860268d-5
0.283
PET-UNK-f860268d-2
0.283
NAU-LAT-a5c7d7cb-5
0.283
NAU-LAT-2fed8305-5
0.283
RAL-THA-2d450e86-1
0.282
EDJ-MED-cc48ee33-7
0.282
EDJ-MED-33064c06-8
0.282