Molecular Properties | |
SMILES: | O=C1C=CC(=O)N1N(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 433.08 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 79.81 |
cLogP: | 3.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
maleimide_etc
phthalimide
Singel acyclic N-N bonds
Activated double bonds (2)
Filter79_maleimide
Hetero_hetero
vinyl michael acceptor1
WIL-UCB-7ba4ac3a-2
0.656
MAK-UNK-3875bbc8-2
0.656
VLA-UCB-05e51b3f-4
0.642
VLA-UCB-50c39ae8-1
0.642
PET-UNK-064639eb-3
0.629
PET-UNK-064639eb-6
0.629
VLA-UCB-50c39ae8-6
0.622
VLA-UCB-05e51b3f-9
0.622
VLA-UNK-5c5a631c-3
0.620
MAT-POS-090737b9-1
0.616
VLA-UCB-05e51b3f-10
0.616
VLA-UCB-50c39ae8-7
0.616
JOH-UNI-ea72002d-7
0.614
DAR-DIA-5ff57136-14
0.610
DAR-DIA-5ff57136-18
0.610
VLA-UNK-5c5a631c-2
0.608
DAR-DIA-5ff57136-10
0.608
VLA-UNK-4b5c0188-1
0.604
DAR-DIA-5ff57136-13
0.604
DAR-DIA-5ff57136-11
0.598
DAR-DIA-5ff57136-15
0.598
DAR-DIA-5ff57136-16
0.598
VLA-UCB-34f3ed0c-19
0.592
VLA-UCB-34f3ed0c-1
0.592
JOH-UNI-ea72002d-6
0.587
VLA-UCB-34f3ed0c-20
0.587
DAR-DIA-5ff57136-17
0.587
ALP-UNI-44c99a80-3
0.575
ALP-UNI-44c99a80-2
0.570
VLA-UCB-05e51b3f-7
0.568
VLA-UCB-50c39ae8-4
0.568
MAT-POS-9db1e783-3
0.565
DAR-DIA-5ff57136-9
0.565
DAR-DIA-5ff57136-19
0.565
DAR-DIA-5ff57136-12
0.564
MAK-UNK-83e0a0b4-3
0.564
VLA-UNK-5c5a631c-1
0.560
MAT-POS-b3e365b9-2
0.520
MAT-POS-b3e365b9-1
0.520
VLA-UCB-1dbca3b4-15
0.520
MAT-POS-f7918075-1
0.520
JOH-UNI-ea72002d-3
0.519
JOH-UNI-ea72002d-4
0.509
ALF-EVA-5b152d2f-4
0.505
NIR-WEI-acbd6416-2
0.505
FRA-DIA-a1f3a927-1
0.505
DAR-DIA-6a508060-1
0.500
DAR-DIA-6a508060-2
0.500
ALF-EVA-a24cc7ce-2
0.495
MAK-UNK-3875bbc8-1
0.485
ADA-UCB-dc2b944c-10
0.472
ADA-UCB-dc2b944c-9
0.472
NIR-THE-af15c15d-1
0.468
MAT-POS-e69ad64a-2
0.467
NIR-THE-47736cde-2
0.467
NIR-THE-47736cde-1
0.467
NIR-THE-2069301b-1
0.463
ALF-EVA-5b152d2f-1
0.462
JOH-UNI-f51e3bbc-3
0.458
JOH-UNI-21fd6073-3
0.455
JOH-UNI-1b27fa5e-2
0.449
MAK-UNK-3875bbc8-3
0.447
JOH-UNI-f51e3bbc-4
0.445
BEN-DND-d1eb1f41-17
0.445
JOH-UNI-21fd6073-4
0.444
EDG-MED-5d232de5-2
0.443
EDG-MED-5d232de5-1
0.443
ALP-POS-ce760d3f-7
0.443
ALP-POS-696356e4-1
0.443
ALF-EVA-5b152d2f-6
0.440
WIL-UCB-7ba4ac3a-3
0.438
ALP-POS-6d96567b-2
0.434
PET-UNK-b1ef24dc-5
0.434
MAK-UNK-8be7dca9-7
0.431
EDJ-MED-ba7e64f2-3
0.431
DAR-DIA-b4e9dd8d-6
0.431
DAR-DIA-b4e9dd8d-1
0.431
DAR-DIA-b4e9dd8d-3
0.431
ALP-POS-ce760d3f-3
0.430
EDJ-MED-ba7e64f2-1
0.430
BEN-DND-4f474d93-2
0.430
BEN-DND-c852c98b-4
0.430
BEN-DND-c852c98b-7
0.423
BEN-DND-c852c98b-1
0.423
EDJ-MED-12c115cc-2
0.423
MAT-POS-bbbbc21a-2
0.423
MAT-POS-f7918075-2
0.423
EDJ-MED-12c115cc-1
0.423
ALF-EVA-5b152d2f-2
0.422
MAK-UNK-8be7dca9-9
0.422
ALF-EVA-5b152d2f-7
0.420
NIR-THE-5be8b355-1
0.419
MAT-POS-11b63608-1
0.417
PET-UNK-ee8352fa-4
0.414
ERI-UCB-8d4e5055-4
0.414
MAT-POS-8293a91a-3
0.414
BEN-DND-c852c98b-3
0.414
MAT-POS-f9802937-7
0.414
BEN-DND-c852c98b-5
0.414
ALP-POS-82da25a3-2
0.414