Molecular Properties | |
SMILES: | O=C1C(=O)N(Cc2cncc3ccccc23)c2ccccc21 |
MW: | 288.09 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 50.27 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter41_12_dicarbonyl
Ketone
DAR-DIA-53551c05-10
0.638
DAR-DIA-53551c05-12
0.557
DAR-DIA-53551c05-4
0.529
DAR-DIA-53551c05-21
0.486
DAR-DIA-53551c05-5
0.471
DAR-DIA-53551c05-11
0.454
LOR-NEU-c8f11034-5
0.426
DAR-DIA-23aa0b97-20
0.378
MIC-UNK-a28eba03-2
0.364
MIC-UNK-a28eba03-4
0.354
MAR-TRE-0fda4e82-26
0.352
MIC-UNK-a28eba03-1
0.349
NAU-LAT-2fed8305-8
0.346
PET-UNK-8922bd3c-1
0.337
MIC-UNK-a28eba03-3
0.337
NAU-LAT-a5c7d7cb-5
0.333
DAR-DIA-6a49afbe-9
0.329
DAR-DIA-23aa0b97-19
0.326
MAK-UNK-b7886382-4
0.326
LOR-NOR-30067bb9-8
0.325
DAR-DIA-6a49afbe-1
0.325
DAR-DIA-53551c05-8
0.325
MAK-UNK-b7886382-3
0.322
DAR-DIA-53551c05-2
0.322
ALP-POS-64a710fa-2
0.319
ERI-UCB-ce40166b-1
0.316
MIC-UNK-460e637d-1
0.316
DAR-DIA-6a49afbe-7
0.314
DAR-DIA-6a49afbe-8
0.314
UNK-UNK-2ede4078-90
0.312
ERI-UCB-ce40166b-3
0.309
LOR-NOR-30067bb9-3
0.309
LOR-NOR-30067bb9-17
0.309
JOH-UNI-ea1df7a8-1
0.309
RAL-THA-2d450e86-1
0.308
JUL-TUD-06b2044f-52
0.305
MAR-UCB-f313ec4d-6
0.305
MAT-POS-fce787c2-2
0.305
MAK-UNK-919546f0-4
0.304
DAR-DIA-6a49afbe-2
0.303
DAR-DIA-53551c05-19
0.303
DAR-DIA-6a49afbe-12
0.301
JUL-TUD-06b2044f-112
0.301
MIC-UNK-5b1ead09-1
0.300
ALP-POS-75715966-2
0.299
RAL-THA-2d450e86-14
0.299
ALP-POS-25b4df59-1
0.298
ERI-UCB-ce40166b-4
0.298
ALP-POS-25b4df59-2
0.298
ALP-POS-c3a96089-1
0.298
ALP-POS-6747fa38-1
0.298
BEN-DND-6de5dfa0-11
0.298
NAU-LAT-a5c7d7cb-1
0.298
RAL-THA-2d450e86-32
0.298
VLA-UCB-05e51b3f-1
0.298
DAR-DIA-53551c05-1
0.298
MAT-POS-23a8a11a-1
0.298
NIR-THE-d08c3b48-1
0.298
ERI-UCB-ce40166b-7
0.297
NAU-LAT-a5c7d7cb-8
0.297
RAL-THA-2d450e86-3
0.296
ALP-POS-64a710fa-1
0.296
DAR-DIA-6a49afbe-4
0.296
PET-UNK-1901c25b-1
0.295
RAL-THA-2d450e86-13
0.294
LOR-NOR-30067bb9-6
0.294
RAL-THA-2d450e86-34
0.294
DAR-DIA-0f7b7cd9-3
0.294
RAL-THA-2d450e86-39
0.294
ALP-POS-7c6e02c7-1
0.293
MIC-UNK-460e637d-2
0.293
RAL-THA-2d450e86-36
0.293
RAL-THA-2d450e86-37
0.293
RAL-THA-2d450e86-7
0.293
RAL-THA-2d450e86-38
0.293
RAL-THA-2d450e86-2
0.293
DAR-DIA-6a508060-1
0.292
DAR-DIA-6a49afbe-5
0.291
ALP-POS-c3a96089-4
0.291
MAT-POS-6c284e65-2
0.291
ERI-UCB-ce40166b-2
0.290
ERI-UCB-ce40166b-12
0.290
RAL-THA-2d450e86-30
0.289
RAL-THA-2d450e86-35
0.289
RAL-THA-2d450e86-16
0.289
NAU-LAT-ec9c7557-4
0.289
ERI-UCB-ce40166b-8
0.289
LON-WEI-af038623-3
0.288
MIC-UNK-b9827f26-1
0.287
DAR-DIA-53551c05-3
0.287
ERI-UCB-ce40166b-5
0.287
RAL-THA-2d450e86-17
0.286
ERI-UCB-ce40166b-11
0.286
RAL-THA-2d450e86-4
0.286
MAT-POS-cc05818f-1
0.286
MAT-POS-173a45da-1
0.286
ERI-UCB-ce40166b-9
0.284
MAK-UNK-b7886382-1
0.284
MIC-UNK-d36ab305-6
0.284
RAL-THA-2d450e86-31
0.284