Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)Cc1ccc(Cl)c(Cl)c1)c1cncc2cnccc12 |
MW: | 385.04 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 63.16 |
cLogP: | 4.22 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
MAT-POS-e69ad64a-3
0.688
DAR-DIA-076fb6ea-1
0.489
VLA-UCB-05e51b3f-16
0.489
PET-UNK-e8c7a26f-1
0.477
VLA-UNK-82501c2c-1
0.476
DAR-DIA-076fb6ea-2
0.404
VLA-UNK-82501c2c-2
0.382
DAR-DIA-076fb6ea-8
0.381
DAR-DIA-56cf811e-5
0.370
PET-UNK-e8c7a26f-2
0.364
DAR-DIA-56cf811e-3
0.356
DAR-DIA-076fb6ea-3
0.346
DAR-DIA-076fb6ea-11
0.346
JUL-TUD-06b2044f-109
0.333
DAR-DIA-076fb6ea-7
0.330
MAT-POS-23a8a11a-1
0.330
TRY-UNI-69298daf-1
0.327
MAT-POS-bb423b95-1
0.326
DAR-DIA-56cf811e-1
0.323
PET-UNK-12d8d43f-2
0.323
VLA-UCB-05e51b3f-15
0.323
PET-UNK-6c2be958-1
0.323
VLA-UCB-05e51b3f-17
0.323
DAR-DIA-076fb6ea-12
0.321
DAR-DIA-6a49afbe-9
0.315
JOH-UNI-a38a7bdd-1
0.310
DAR-DIA-56cf811e-6
0.307
DAR-DIA-56cf811e-4
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BEN-DND-61647d40-15
0.298
BEN-DND-02317c5c-13
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DAR-DIA-5ff57136-5
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PET-UNK-12d8d43f-1
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JOH-UNI-a38a7bdd-5
0.295
JAN-GHE-d851b096-1
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TRY-UNI-69298daf-5
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DAR-DIA-076fb6ea-13
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JOH-UNI-50ce7ec3-1
0.291
DAR-DIA-076fb6ea-4
0.291
PET-UNK-5ecb6237-1
0.290
MAT-POS-bb423b95-7
0.289
VLA-UNK-56836b69-4
0.288
MAT-POS-e69ad64a-1
0.288
JOH-UNI-a38a7bdd-6
0.287
TRY-UNI-69298daf-2
0.286
DAR-DIA-5ff57136-7
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TRY-UNI-69298daf-3
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BEN-DND-02317c5c-1
0.284
JUL-TUD-06b2044f-68
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MAT-POS-090737b9-1
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VLA-UCB-50c39ae8-7
0.277
VLA-UCB-05e51b3f-10
0.277
DAR-DIA-56cf811e-2
0.276
DAR-DIA-076fb6ea-5
0.274
ALP-POS-7c6e02c7-2
0.274
NIR-THE-47736cde-1
0.273
NIR-THE-47736cde-2
0.273
MAT-POS-e69ad64a-2
0.273
ALP-POS-7c6e02c7-1
0.273
PET-UNK-a692de38-1
0.272
BEN-DND-02317c5c-10
0.271
DAR-DIA-5a24bef0-8
0.270
DAR-DIA-076fb6ea-15
0.269
ALP-UNI-8d415491-3
0.267
JUL-TUD-06b2044f-46
0.266
PET-UNK-f4e47ebd-6
0.266
PET-UNK-f4e47ebd-21
0.265
DAR-DIA-076fb6ea-14
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BEN-DND-34fc7f90-1
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BEN-DND-34fc7f90-7
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JOH-UNI-a38a7bdd-3
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BEN-DND-61647d40-5
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MIC-UNK-67d4a29a-1
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JOH-UNI-50ce7ec3-2
0.262
BEN-DND-4f474d93-1
0.262
BEN-DND-4f474d93-3
0.262
ALP-POS-ce760d3f-2
0.262
DAR-DIA-5ff57136-1
0.261
DAR-DIA-5ff57136-2
0.261
JOH-UNI-a38a7bdd-2
0.260
JUL-TUD-06b2044f-45
0.259
ALF-EVA-a24cc7ce-7
0.258
MIC-UNK-67d4a29a-3
0.257
PET-UNK-b78139fa-18
0.257
BEN-DND-34fc7f90-4
0.257
ALP-UNI-44c99a80-1
0.257
JUL-TUD-06b2044f-41
0.257
JAN-GHE-83b26c96-15
0.255
EDG-MED-0da5ad92-1
0.255
JUL-TUD-06b2044f-51
0.255
MIC-UNK-67d4a29a-2
0.255
PET-UNK-b78139fa-9
0.255
NAU-LAT-4ce8bf23-2
0.255
ALP-UNI-44c99a80-4
0.255
PET-UNK-bbe8d7ff-1
0.253
MAT-POS-f7918075-5
0.253
JUL-TUD-06b2044f-100
0.252
MIC-UNK-67d4a29a-4
0.252
DAR-DIA-076fb6ea-6
0.252
DAR-DIA-5ff57136-6
0.252
JOH-UNI-a38a7bdd-7
0.252