Molecular Properties | |
SMILES: | O=C1CC(c2cccc(Cl)c2)C(=O)C1n1c(=O)[nH]c2ccccc21 |
MW: | 340.06 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 71.93 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Ketone
VLA-UCB-1dbca3b4-2
0.341
BEN-DND-61647d40-14
0.333
VLA-UNK-dc1d9354-1
0.326
VLA-UCB-eb340134-1
0.310
VLA-UCB-1dbca3b4-7
0.309
VLA-UCB-1dbca3b4-8
0.309
VLA-UCB-53bdeed6-1
0.304
VLA-UCB-eb340134-3
0.304
PET-UNK-fcd64629-1
0.298
MAR-TRE-fffca54f-92
0.295
PET-UNK-7b413b46-1
0.290
PET-UNK-7b413b46-5
0.290
PET-UNK-7b413b46-2
0.289
PET-UNK-7b413b46-6
0.289
PET-UNK-eda34f30-1
0.287
NAU-LAT-56d5284e-2
0.283
PET-UNK-4dc48bbe-1
0.283
VLA-UCB-1dbca3b4-4
0.280
VLA-UCB-1dbca3b4-18
0.277
PET-UNK-abc197b8-1
0.277
VLA-UCB-1dbca3b4-6
0.276
PET-UNK-7a31b064-5
0.274
MIC-UNK-50cce87d-10
0.267
PET-UNK-c9c1e0d8-3
0.267
PET-UNK-67cd1298-1
0.265
PET-UNK-7a31b064-3
0.265
EDJ-MED-e66f2cc5-1
0.263
MIC-UNK-50cce87d-6
0.263
EDG-MED-5d232de5-7
0.260
PET-UNK-c9c1e0d8-4
0.260
GIA-UNK-80c9bc96-1
0.260
EDG-MED-5d232de5-8
0.260
PET-UNK-7b413b46-4
0.260
RAI-NOV-a7d52b4a-1
0.260
PET-UNK-7a31b064-1
0.260
PET-UNK-7b413b46-8
0.260
MIC-UNK-50cce87d-11
0.257
PET-UNK-7a31b064-6
0.255
MIC-UNK-0a05c952-1
0.255
JOH-IMS-1436231f-4
0.253
VLA-UCB-1dbca3b4-10
0.252
PET-UNK-689df078-1
0.252
MIC-UNK-50cce87d-7
0.252
MIC-UNK-50cce87d-12
0.250
PET-UNK-3e354a91-1
0.248
MIC-UNK-50cce87d-8
0.248
PET-UNK-5ddd54c7-2
0.248
MIC-UNK-50cce87d-9
0.248
PET-UNK-7b413b46-7
0.245
PET-UNK-7b413b46-3
0.245
PET-UNK-7a31b064-4
0.245
RAI-NOV-a7d52b4a-3
0.245
MIC-UNK-50cce87d-5
0.243
VLA-UCB-1dbca3b4-11
0.242
MIC-UNK-0a05c952-2
0.241
PET-UNK-7a31b064-2
0.241
PET-UNK-4dc48bbe-7
0.237
NAU-LAT-56d5284e-1
0.235
UNK-UNK-2ede4078-35
0.234
VLA-UCB-eb340134-4
0.231
EDJ-MED-50fe53e8-3
0.229
DAR-DIA-43a5904b-7
0.229
DAR-DIA-f6ee7aeb-1
0.229
ERI-UCB-ce40166b-24
0.229
DAR-DIA-2964957d-5
0.227
ROB-UNI-daaf9793-1
0.227
DAR-DIA-2964957d-4
0.227
MAT-POS-e1b5ac6b-1
0.227
NAU-LAT-56d5284e-6
0.226
MAR-TRE-4b834d9a-26
0.226
VLA-UCB-1dbca3b4-12
0.226
VLA-UCB-1dbca3b4-17
0.225
ERI-UCB-a0b0dbcb-2
0.225
PET-UNK-4dc48bbe-6
0.225
NAU-LAT-a5c7d7cb-14
0.224
ROB-UNI-daaf9793-2
0.224
NAU-LAT-56d5284e-3
0.224
UNK-UNK-2ede4078-58
0.224
JAG-UCB-ef2c0e8e-10
0.222
SEA-TRI-fac72a44-1
0.222
BEN-DND-61647d40-4
0.221
PET-UNK-689df078-3
0.221
NAU-LAT-56d5284e-7
0.221
RUB-POS-1325a9ea-16
0.221
ALP-POS-8b8a49e1-6
0.221
SEA-TRI-078a8df3-1
0.220
JAN-GHE-82a280f8-3
0.220
JAN-GHE-82a280f8-2
0.220
ERI-UCB-ce40166b-22
0.220
NIM-UNI-13494739-5
0.220
JAN-GHE-83b26c96-18
0.220
PET-UNK-689df078-4
0.219
BEN-DND-d1eb1f41-7
0.219
MAT-POS-24589f88-14
0.219
NAU-LAT-a5c7d7cb-10
0.219
EDJ-MED-c8e7a002-11
0.219
MAT-POS-bfb445d4-2
0.219
DAR-DIA-f6ee7aeb-6
0.218
JOH-ILL-b8b12274-1
0.217
ERI-UCB-d6de1f3c-1
0.217