Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC(=O)N(C(=O)[C@@H]2CCOc3ccc(Cl)cc32)c2cncc3ccccc23)CC1 |
MW: | 506.17 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 83.05 |
cLogP: | 3.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
VLA-UCB-05e51b3f-7
1.000
VLA-UCB-05e51b3f-9
0.724
VLA-UCB-50c39ae8-6
0.724
VLA-UNK-5c5a631c-3
0.703
VLA-UCB-05e51b3f-4
0.694
VLA-UCB-50c39ae8-1
0.694
VLA-UCB-34f3ed0c-20
0.636
MAT-POS-090737b9-1
0.635
VLA-UCB-05e51b3f-10
0.635
VLA-UCB-50c39ae8-7
0.635
DAR-DIA-5ff57136-19
0.627
DAR-DIA-5ff57136-11
0.617
MAT-POS-9db1e783-3
0.613
DAR-DIA-5ff57136-9
0.613
VLA-UCB-34f3ed0c-1
0.611
VLA-UCB-34f3ed0c-19
0.611
MAK-UNK-3875bbc8-2
0.608
WIL-UCB-7ba4ac3a-2
0.608
VLA-UNK-4b5c0188-1
0.593
ALP-UNI-44c99a80-2
0.575
DAR-DIA-5ff57136-15
0.573
PET-UNK-064639eb-3
0.570
PET-UNK-064639eb-6
0.570
DAR-DIA-5ff57136-14
0.569
JOH-UNI-ea72002d-1
0.568
VLA-UNK-5c5a631c-2
0.568
ALP-UNI-44c99a80-3
0.566
DAR-DIA-5ff57136-13
0.564
DAR-DIA-5ff57136-16
0.559
DAR-DIA-5ff57136-18
0.555
DAR-DIA-5ff57136-10
0.554
VLA-UNK-5c5a631c-1
0.552
DAR-DIA-5ff57136-17
0.549
JOH-UNI-ea72002d-7
0.545
MAK-UNK-83e0a0b4-3
0.542
JOH-UNI-ea72002d-6
0.535
DAR-DIA-5ff57136-12
0.517
DAR-DIA-6a508060-1
0.495
NIR-THE-af15c15d-1
0.491
VLA-UCB-1dbca3b4-15
0.486
MAT-POS-b3e365b9-1
0.486
MAT-POS-b3e365b9-2
0.486
MAT-POS-f7918075-1
0.486
MAT-POS-e69ad64a-2
0.478
NIR-THE-47736cde-1
0.478
NIR-THE-47736cde-2
0.478
NIR-THE-2069301b-1
0.474
DAR-DIA-b4e9dd8d-3
0.467
DAR-DIA-b4e9dd8d-1
0.467
DAR-DIA-b4e9dd8d-6
0.467
ALF-EVA-a24cc7ce-2
0.464
ALF-EVA-5b152d2f-4
0.460
DAR-DIA-6a508060-2
0.455
MAK-UNK-3875bbc8-1
0.455
NIR-WEI-acbd6416-2
0.447
FRA-DIA-a1f3a927-1
0.447
ADA-UCB-dc2b944c-10
0.443
JOH-UNI-21fd6073-3
0.441
ALF-EVA-5b152d2f-6
0.440
ALF-EVA-5b152d2f-1
0.435
DAR-DIA-5ff57136-1
0.433
DAR-DIA-5ff57136-2
0.433
BEN-DND-d1eb1f41-17
0.432
JOH-UNI-ea72002d-4
0.431
JOH-UNI-ea72002d-3
0.426
JOH-UNI-21fd6073-4
0.421
JOH-UNI-f51e3bbc-4
0.420
MAK-UNK-3875bbc8-3
0.420
DAR-DIA-b4e9dd8d-2
0.419
DAR-DIA-b4e9dd8d-4
0.419
DAR-DIA-b4e9dd8d-5
0.419
ALP-POS-ce760d3f-7
0.417
ALP-POS-696356e4-1
0.417
EDG-MED-5d232de5-1
0.417
EDG-MED-5d232de5-2
0.417
ALP-POS-6d96567b-2
0.412
ALP-POS-a0a4abd7-8
0.412
JOH-UNI-1b27fa5e-2
0.410
DAR-DIA-ecdbc7dd-18
0.409
MAK-UNK-83e0a0b4-4
0.407
ADA-UCB-dc2b944c-9
0.407
JOH-UNI-f51e3bbc-3
0.407
MAT-POS-e69ad64a-1
0.405
BEN-DND-c852c98b-5
0.403
ERI-UCB-8d4e5055-4
0.403
PET-UNK-e274cad4-7
0.402
ALF-EVA-a24cc7ce-6
0.402
RAL-THA-b9d6aec1-2
0.402
MIC-UNK-b904ca85-4
0.400
ALP-POS-a0a4abd7-7
0.399
ALP-POS-a0a4abd7-6
0.398
NIR-THE-5be8b355-1
0.398
JAG-UCB-571deb56-5
0.398
ALF-EVA-5b152d2f-2
0.398
MAK-UNK-8be7dca9-9
0.398
PET-UNK-03fd2068-1
0.398
EDJ-MED-12c115cc-1
0.398
EDJ-MED-12c115cc-2
0.398
MAT-POS-bbbbc21a-2
0.398
MAT-POS-f7918075-2
0.398