Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)C1=CCOc2ccc(Cl)cc21)c1cnccc1C |
MW: | 354.08 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 59.5 |
cLogP: | 3.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
Activated double bonds (2)
vinyl michael acceptor1
DAR-DIA-5ff57136-6
0.624
DAR-DIA-5ff57136-7
0.600
DAR-DIA-5ff57136-4
0.469
DAR-DIA-5ff57136-3
0.469
DAR-DIA-076fb6ea-2
0.402
ALP-POS-ce760d3f-5
0.386
ALP-POS-ce760d3f-6
0.368
DAR-DIA-5ff57136-5
0.358
JAN-GHE-d851b096-1
0.333
DAR-DIA-076fb6ea-7
0.330
DAR-DIA-56cf811e-6
0.320
DAR-DIA-56cf811e-4
0.320
PET-UNK-bbe8d7ff-1
0.320
DAR-DIA-56cf811e-2
0.316
JOH-UNI-a38a7bdd-3
0.316
TRY-UNI-69298daf-1
0.315
PET-UNK-bbe8d7ff-2
0.306
DAR-DIA-076fb6ea-4
0.305
DAR-DIA-076fb6ea-13
0.305
JOH-UNI-a38a7bdd-4
0.303
DAR-DIA-076fb6ea-16
0.303
ERI-UCB-5b47150d-3
0.302
SEL-UNI-8426c22c-4
0.302
MAT-POS-b3e365b9-3
0.301
MAT-POS-b3e365b9-4
0.301
JOH-UNI-a38a7bdd-9
0.301
BRU-CON-c4e3408a-1
0.301
DAR-DIA-6a508060-6
0.301
JAN-GHE-f4ca5a00-13
0.301
DAR-DIA-076fb6ea-14
0.301
TRY-UNI-69298daf-2
0.298
EDG-MED-0da5ad92-1
0.298
JAN-GHE-83b26c96-15
0.298
BAR-COM-ebf5acce-1
0.294
BAR-COM-ebf5acce-15
0.291
JOH-UNI-a38a7bdd-7
0.290
JOH-UNI-a38a7bdd-8
0.290
BAR-COM-ebf5acce-6
0.288
BAR-COM-ebf5acce-9
0.288
BAR-COM-ebf5acce-13
0.287
DAR-DIA-5ff57136-1
0.284
DAR-DIA-5ff57136-2
0.284
BAR-COM-ebf5acce-11
0.282
VLA-UCB-05e51b3f-3
0.282
BAR-COM-ebf5acce-3
0.282
VLA-UCB-50c39ae8-7
0.278
VLA-UCB-05e51b3f-10
0.278
MAT-POS-090737b9-1
0.278
ERI-UCB-5b47150d-5
0.278
CHE-UNK-1fcbaeee-4
0.277
MAK-UNK-f481d203-8
0.276
BAR-COM-ebf5acce-8
0.275
BAR-COM-0f94fc3d-48
0.275
MAT-POS-e69ad64a-2
0.274
NIR-THE-47736cde-2
0.274
NIR-THE-47736cde-1
0.274
BAR-COM-ebf5acce-7
0.273
BAR-COM-ebf5acce-12
0.273
DAR-DIA-2b784ede-25
0.273
BAR-COM-ebf5acce-10
0.271
DAR-DIA-076fb6ea-6
0.267
BAR-COM-ebf5acce-14
0.266
MAK-UNK-f481d203-7
0.266
ERI-UCB-5b47150d-2
0.264
SAD-SAT-7d5528d9-3
0.264
BAR-COM-ebf5acce-5
0.264
AGN-NEW-63f62ae9-1
0.264
BAR-COM-ebf5acce-2
0.262
DAR-DIA-076fb6ea-10
0.261
MAT-POS-c0143b99-1
0.261
DAR-DIA-2b784ede-33
0.259
EDJ-MED-e9694d2b-1
0.259
ERI-UCB-9c7ec71b-2
0.259
BAR-COM-ebf5acce-4
0.259
DAR-DIA-2b784ede-6
0.257
DAR-DIA-2b784ede-31
0.255
DAR-DIA-2b784ede-54
0.254
PET-UNK-e8c7a26f-2
0.253
DAR-DIA-2964957d-8
0.252
ALP-POS-902f21bb-2
0.252
MAK-UNK-6ca90168-27
0.250
DAR-DIA-2b784ede-2
0.250
DAR-DIA-2b784ede-3
0.250
DAR-DIA-2b784ede-19
0.248
MAK-UNK-f481d203-1
0.248
LON-WEI-0a73fcb8-7
0.248
MAK-UNK-919546f0-1
0.248
MAK-UNK-f481d203-2
0.248
DAR-DIA-2b784ede-4
0.248
KEI-TRE-d5e2018a-76
0.248
EDG-MED-0da5ad92-19
0.247
BEN-DND-6de5dfa0-17
0.247
MAT-POS-e69ad64a-1
0.246
MAT-POS-afb6844f-2
0.245
JOH-UNI-df8adf26-4
0.243
BEN-DND-a7517465-7
0.243
DAR-DIA-2b784ede-1
0.243
SAM-UNK-2684b532-2
0.243
CHE-UNK-3dacc16b-3
0.242
DAR-DIA-2b784ede-21
0.241