Molecular Properties | |
SMILES: | O=C(Nc1cccc2ccnc(N3C(=O)C=CC3=O)c12)C1CCOc2ccc(Cl)cc21 |
MW: | 433.08 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.6 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
maleimide_etc
phthalimide
Activated double bonds (2)
Filter79_maleimide
vinyl michael acceptor1
JOH-UNI-ea72002d-8
0.604
JAG-UCB-52b62a6f-13
0.524
PET-UNK-b1ef24dc-5
0.510
BEN-DND-4f474d93-2
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ALP-POS-ce760d3f-3
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BEN-DND-a7517465-3
0.500
BEN-DND-a7517465-5
0.500
BEN-DND-a7517465-2
0.500
EDJ-MED-51d3200d-3
0.495
MIC-UNK-7574fcc6-2
0.495
MAK-UNK-f481d203-1
0.495
MAK-UNK-f481d203-2
0.495
MAK-UNK-919546f0-1
0.495
BEN-DND-a7517465-6
0.491
EDJ-MED-51d3200d-1
0.491
BEN-DND-a7517465-1
0.491
JOH-UNI-f51e3bbc-1
0.490
EDJ-MED-ba7e64f2-2
0.490
JAN-GHE-f4ca5a00-13
0.490
DAR-DIA-6a508060-6
0.490
BRU-CON-c4e3408a-1
0.490
MAT-POS-b3e365b9-3
0.490
MAT-POS-b3e365b9-4
0.490
JOH-UNI-1b27fa5e-7
0.485
RAL-THA-b00e3cbf-1
0.481
MAT-POS-f7918075-1
0.481
MAT-POS-b3e365b9-2
0.481
MAT-POS-b3e365b9-1
0.481
VLA-UCB-1dbca3b4-15
0.481
BEN-DND-4f474d93-1
0.481
BEN-DND-4f474d93-3
0.481
ALP-POS-ce760d3f-2
0.481
ERI-UCB-9c7ec71b-2
0.480
EDJ-MED-e9694d2b-1
0.480
LON-WEI-0a73fcb8-7
0.480
MAT-POS-a3f7f96a-2
0.480
ALF-EVA-ced740bd-2
0.477
BEN-DND-a7517465-8
0.477
EDJ-MED-51d3200d-2
0.477
BEN-DND-c852c98b-10
0.477
PET-UNK-e274cad4-2
0.477
ALP-POS-ce760d3f-7
0.476
BEN-DND-c852c98b-4
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BEN-DND-c852c98b-8
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EDG-MED-5d232de5-1
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EDJ-MED-ba7e64f2-1
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EDG-MED-5d232de5-2
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ALP-POS-696356e4-1
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RAL-THA-9041a04d-6
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BEN-DND-a7517465-10
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MAT-POS-afb6844f-2
0.476
EDJ-MED-51d3200d-4
0.476
NAU-LAT-8502cac5-11
0.475
EDJ-MED-fb4b7746-4
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EDG-MED-0e5afe9d-1
0.473
PET-UNK-ee8352fa-4
0.472
NAU-LAT-b7d8c353-5
0.472
MIC-UNK-b904ca85-2
0.472
PET-UNK-e274cad4-7
0.472
PET-UNK-b1ef24dc-6
0.472
ADA-UCB-dc2b944c-11
0.472
ALP-POS-b3e0acc5-2
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MAT-POS-a2421bb6-4
0.471
MAT-POS-afb6844f-1
0.471
MAT-POS-b5c94171-1
0.471
MAT-POS-8293a91a-1
0.471
MAT-POS-7ddaf7de-4
0.471
RAL-THA-3d7a794f-4
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BEN-DND-c852c98b-1
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RUB-POS-1325a9ea-10
0.468
ALF-EVA-ced740bd-1
0.468
EDJ-MED-fb4b7746-3
0.467
EDG-MED-0e5afe9d-2
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PET-UNK-03fd2068-1
0.467
ADA-UCB-dc2b944c-8
0.467
ALF-EVA-5b152d2f-2
0.467
BEN-DND-02317c5c-3
0.467
PET-UNK-b1ef24dc-8
0.467
MAT-POS-afb6844f-4
0.467
MAT-POS-afb6844f-3
0.467
MAT-POS-a2421bb6-1
0.467
MAT-POS-51833a24-1
0.467
VLA-UCB-53bdeed6-3
0.466
MAT-POS-1f3c8e6f-1
0.466
ALP-POS-8b8a49e1-1
0.465
MIC-UNK-42806bd5-3
0.465
MAK-UNK-8be7dca9-6
0.464
NAU-LAT-b7d8c353-8
0.464
MIC-UNK-b904ca85-3
0.464
PET-UNK-ee8352fa-6
0.464
MAT-POS-14f31916-1
0.463
BEN-DND-a7517465-7
0.463
MAK-UNK-8be7dca9-7
0.463
MAT-POS-d8472c4f-6
0.463
WIL-UCB-7ba4ac3a-1
0.463
ADA-UCB-dc2b944c-12
0.462
JOH-SUS-a69c159d-1
0.462
JOH-SUS-a69c159d-2
0.462
PET-UNK-b38839dc-3
0.462
MAT-POS-500f4700-1
0.462