Molecular Properties | |
SMILES: | C=CC(=O)CN(C(=O)Nc1cccc(Cl)c1)c1cncnc1 |
MW: | 316.748 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.19 |
cLogP: | 2.9236 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Filter44_michael_acceptor2
Ketone
AAR-POS-d2a4d1df-11
SEA-TRI-6388eba6-1
0.701
SEA-TRI-5a552082-1
0.691
JAN-GHE-d851b096-3
0.391
JAN-GHE-d851b096-9
0.366
DAR-DIA-23aa0b97-13
0.364
JAN-GHE-83b26c96-19
0.360
DAR-DIA-23aa0b97-14
0.360
WAR-XCH-eb7b662f-7
0.360
JOR-UNI-2fc98d0b-7
0.360
MIC-UNK-66895286-2
0.359
BEN-DND-61647d40-20
0.354
JAN-GHE-d851b096-4
0.354
TRY-UNI-714a760b-9
0.354
MIC-UNK-66895286-3
0.350
SEA-TRI-04ff6e57-1
0.349
EDJ-MED-49816e9b-1
0.346
AAR-UNI-c25c2f1e-46
0.342
JAN-GHE-d851b096-2
0.341
JOR-UNI-2fc98d0b-2
0.341
JAN-GHE-5a013bed-9
0.338
MIC-UNK-66895286-4
0.337
ERI-UCB-ce40166b-23
0.337
JAG-UCB-cedd89ab-6
0.333
JAN-LUN-3e0f9c09-1
0.333
JAN-LUN-8953ce76-6
0.333
JAG-UCB-cedd89ab-8
0.333
TRY-UNI-714a760b-12
0.333
JAG-UCB-252a2f58-1
0.329
JOR-UNI-2fc98d0b-8
0.326
BEN-DND-61647d40-19
0.325
BAR-COM-4e090d3a-11
0.322
BEN-DND-61647d40-15
0.322
JOR-UNI-2fc98d0b-6
0.320
SEA-TRI-f62e8c25-1
0.319
PET-UNK-8922bd3c-1
0.318
BEN-DND-61647d40-16
0.318
NIM-UNI-6eebfcd4-1
0.317
JOR-UNI-2fc98d0b-1
0.312
JOR-UNI-2fc98d0b-4
0.312
MAR-TRE-92684b97-89
0.310
BEN-DND-61647d40-11
0.310
MAR-TRE-4f781e27-43
0.310
MAR-TRE-799db12b-27
0.307
BEN-DND-61647d40-12
0.307
MIC-UNK-66895286-5
0.307
BEN-DND-02317c5c-12
0.307
MAT-POS-bfb445d4-1
0.307
MAT-POS-3b92565d-14
0.307
JAG-UCB-cedd89ab-7
0.307
JOR-UNI-2fc98d0b-10
0.306
EDG-MED-0da5ad92-20
0.305
JOR-UNI-2fc98d0b-16
0.305
JAG-UCB-ef2c0e8e-10
0.305
DAR-DIA-23aa0b97-12
0.303
SIM-SYN-a98e6a07-3
0.303
JOR-UNI-2fc98d0b-12
0.302
JAN-GHE-d851b096-1
0.301
MAR-TRE-4f781e27-49
0.300
MAR-TRE-799db12b-24
0.300
JOR-UNI-2fc98d0b-17
0.299
JOR-UNI-2fc98d0b-3
0.299
JOR-UNI-2fc98d0b-5
0.299
JOR-UNI-2fc98d0b-11
0.299
TRY-UNI-9f475305-11
0.299
JOR-UNI-2fc98d0b-9
0.298
BEN-DND-61647d40-13
0.295
BEN-DND-02317c5c-11
0.295
JIN-POS-6dc588a4-1
0.295
JOH-UNI-c7afdb96-5
0.294
JOR-UNI-2fc98d0b-13
0.293
JOR-UNI-2fc98d0b-14
0.293
MAR-TRE-66ac689e-92
0.292
JAG-UCB-1d922829-4
0.292
NAU-LAT-4ce8bf23-3
0.292
SAD-SAT-24589cd1-2
0.291
MAR-TRE-a9136c7b-76
0.290
MAR-TRE-9d18ae8c-77
0.290
MAR-TRE-8190bb11-59
0.289
SIM-SYN-a98e6a07-2
0.289
JAG-UCB-77729364-1
0.289
MIC-UNK-8373f97b-1
0.287
ALP-POS-568d9d36-1
0.287
MAR-TRE-f5c2d31c-36
0.287
JOR-UNI-2fc98d0b-15
0.287
BEN-DND-61647d40-14
0.286
MAR-TRE-8190bb11-4
0.286
BAR-COM-4e090d3a-39
0.286
MIC-UNK-bcd487e9-1
0.286
MAR-TRE-85681e92-77
0.286
JAN-GHE-f4ca5a00-11
0.284
ALP-POS-f13221e1-4
0.284
PET-UNK-e8c7a26f-2
0.284
MAR-TRE-799db12b-39
0.284
MAR-TRE-66ac689e-65
0.283
DAR-DIA-076fb6ea-2
0.283
EDG-MED-0da5ad92-2
0.280
MAR-TRE-3e4e6814-83
0.280
NAU-LAT-4ce8bf23-1
0.280
MAR-TRE-799db12b-25
0.280
EDG-MED-0da5ad92-19
0.279