Molecular Properties | |
SMILES: | O=C(CN(C(=O)C1COc2ccc(Cl)cc21)c1cncc2ccccc12)ON1C(=O)CCC1=O |
MW: | 479.09 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 106.11 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyl_activated_NO
phthalimide
N-Acetoxy amines and their thio analogues
N-Acetoxy-N,N-dicarbonyl compounds
Filter19_hydroxyimide_ester
acyclic NO not nitro
triacyloxime
Long aliphatic chain
Hetero_hetero
JOH-UNI-21fd6073-3
0.793
JOH-UNI-21fd6073-1
0.595
ALF-EVA-a24cc7ce-2
0.592
MAT-POS-e69ad64a-2
0.558
NIR-THE-47736cde-1
0.558
NIR-THE-47736cde-2
0.558
NIR-THE-2069301b-1
0.552
JOH-UNI-21fd6073-2
0.545
NIR-THE-af15c15d-1
0.542
DAR-DIA-b4e9dd8d-3
0.527
DAR-DIA-b4e9dd8d-1
0.527
DAR-DIA-b4e9dd8d-6
0.527
VLA-UNK-4b5c0188-1
0.518
DAR-DIA-5ff57136-13
0.505
VLA-UNK-5c5a631c-2
0.496
DAR-DIA-5ff57136-17
0.491
MAK-UNK-83e0a0b4-3
0.487
ALP-UNI-44c99a80-3
0.483
ALP-UNI-44c99a80-2
0.479
EDJ-MED-12c115cc-2
0.471
MAT-POS-bbbbc21a-2
0.471
MAT-POS-f7918075-2
0.471
EDJ-MED-12c115cc-1
0.471
VLA-UNK-5c5a631c-1
0.471
VLA-UCB-05e51b3f-9
0.464
VLA-UCB-50c39ae8-6
0.464
MAK-UNK-3875bbc8-2
0.459
WIL-UCB-7ba4ac3a-2
0.459
DAR-DIA-5ff57136-14
0.456
PET-UNK-064639eb-3
0.455
PET-UNK-064639eb-6
0.455
VLA-UNK-5c5a631c-3
0.452
VLA-UCB-05e51b3f-4
0.450
VLA-UCB-50c39ae8-1
0.450
JOH-UNI-ea72002d-7
0.448
JOH-UNI-ea72002d-1
0.444
DAR-DIA-5ff57136-18
0.443
JOH-UNI-ea72002d-6
0.441
VLA-UCB-05e51b3f-10
0.435
VLA-UCB-50c39ae8-7
0.435
MAT-POS-090737b9-1
0.435
DAR-DIA-5ff57136-10
0.432
DAR-DIA-5ff57136-11
0.424
DAR-DIA-5ff57136-15
0.424
DAR-DIA-5ff57136-16
0.424
VLA-UCB-05e51b3f-7
0.421
VLA-UCB-50c39ae8-4
0.421
VLA-UCB-34f3ed0c-1
0.420
VLA-UCB-34f3ed0c-19
0.420
VLA-UCB-34f3ed0c-20
0.417
DAR-DIA-5ff57136-2
0.415
DAR-DIA-5ff57136-1
0.415
MAT-POS-9db1e783-3
0.415
DAR-DIA-5ff57136-9
0.415
DAR-DIA-5ff57136-19
0.415
ALP-POS-6d96567b-2
0.406
DAR-DIA-5ff57136-12
0.405
NIR-THE-5be8b355-1
0.403
PET-UNK-f860268d-1
0.398
PET-UNK-f860268d-4
0.398
DAR-DIA-6a508060-1
0.398
MAR-UCB-6ab2ec87-5
0.396
PET-UNK-f860268d-3
0.392
PET-UNK-f860268d-6
0.392
ALF-EVA-5b152d2f-1
0.391
ALF-EVA-5b152d2f-4
0.391
ALF-EVA-a24cc7ce-4
0.389
VLA-UCB-1dbca3b4-15
0.389
MAT-POS-b3e365b9-1
0.389
MAT-POS-b3e365b9-2
0.389
MAT-POS-f7918075-1
0.389
EDJ-MED-e4b030d8-6
0.387
DAR-DIA-6a508060-2
0.386
MAK-UNK-8be7dca9-3
0.385
PET-UNK-064639eb-2
0.380
PET-UNK-064639eb-5
0.380
ERI-UCB-b3e6b0c2-1
0.379
JOH-UNI-a38a7bdd-2
0.378
ALP-POS-a0a4abd7-8
0.375
VLA-UCB-1dbca3b4-16
0.374
ALP-POS-a0a4abd7-7
0.372
ALP-POS-a0a4abd7-6
0.371
PET-UNK-c0891748-12
0.371
EDJ-MED-e4b030d8-11
0.371
MAT-POS-2e8b2191-2
0.371
MAT-POS-8a69d52e-4
0.371
ADA-UCB-dc2b944c-14
0.371
MAT-POS-8a69d52e-6
0.371
BRU-THA-01b12488-1
0.371
ADA-UCB-dc2b944c-13
0.371
MAT-POS-8a69d52e-7
0.371
PET-UNK-c0891748-6
0.371
ADA-UCB-dc2b944c-16
0.371
MAT-POS-8a69d52e-5
0.371
ALF-EVA-a24cc7ce-1
0.368
ALP-UNI-44c99a80-4
0.368
NIR-WEI-acbd6416-2
0.368
ALP-POS-d3acb8cc-1
0.368
EDJ-MED-e4b030d8-3
0.368
ALP-POS-d3acb8cc-4
0.368