Molecular Properties | |
SMILES: | O=C1C[C@@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 377.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 62.3 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAT-POS-1bed62cf-3
JOH-MSK-1f2dff76-4
1.000
JOH-MSK-51c67e7d-2
0.613
JOH-MSK-51c67e7d-1
0.613
VLA-MRT-a639d434-3
0.585
VLA-MRT-8c78ee15-2
0.585
VLA-MRT-8c78ee15-1
0.585
JOH-MSK-1f2dff76-1
0.559
JOH-MSK-1f2dff76-2
0.559
MAT-POS-1bed62cf-3
0.559
PET-UNK-94036022-5
0.558
PET-UNK-94036022-12
0.558
VLA-UCB-05e51b3f-5
0.541
BEN-BAS-c2bc0d80-6
0.541
MAT-POS-94643566-1
0.541
VLA-UCB-50c39ae8-2
0.541
PET-UNK-94036022-11
0.533
PET-UNK-77d5678a-1
0.533
PET-UNK-77d5678a-4
0.533
PET-UNK-94036022-4
0.533
MAT-POS-1bed62cf-1
0.523
LUO-POS-868e8996-9
0.523
LUO-POS-868e8996-10
0.523
VLA-UNK-c65c1026-3
0.510
PET-UNK-626a1084-1
0.505
PET-UNK-626a1084-2
0.505
PET-UNK-626a1084-3
0.505
PET-UNK-626a1084-4
0.505
VLA-UNK-70dd90ef-3
0.500
VLA-UNK-c65c1026-4
0.500
VLA-UNK-3a43cd95-4
0.495
VLA-UNK-c65c1026-2
0.495
VLA-UNK-c65c1026-5
0.495
MAT-POS-1bed62cf-2
0.486
LUO-POS-868e8996-7
0.486
LUO-POS-868e8996-8
0.486
VLA-UNK-3a43cd95-3
0.485
PET-UNK-eeb64427-4
0.482
JOH-MSK-4bb3d434-2
0.482
PET-UNK-77d5678a-6
0.482
PET-UNK-eeb64427-1
0.482
12_-111-3e02a1cd-2
0.482
PET-UNK-77d5678a-3
0.482
PET-UNK-6af7266d-2
0.482
PET-UNK-6af7266d-4
0.482
PET-UNK-77d5678a-2
0.473
12_-111-3e02a1cd-1
0.473
PET-UNK-77d5678a-5
0.473
PET-UNK-eeb64427-2
0.473
PET-UNK-eeb64427-5
0.473
VLA-UNK-70dd90ef-1
0.470
VLA-UCB-05e51b3f-6
0.467
VLA-UCB-50c39ae8-3
0.467
VLA-UNK-ba665ac8-1
0.467
VLA-UNK-c65c1026-6
0.466
YVE-CNR-7d92d73e-1
0.456
PET-UNK-eeb64427-3
0.455
PET-UNK-eeb64427-6
0.455
PET-UNK-143b31ee-1
0.453
PET-UNK-143b31ee-4
0.453
VLA-UCB-34f3ed0c-12
0.453
MAT-POS-90505e2b-1
0.442
MAT-POS-ec6d90b7-1
0.442
MAT-POS-ec6d90b7-2
0.442
VLA-UNK-83c3754c-1
0.441
VLA-UNK-70dd90ef-4
0.441
PET-UNK-143b31ee-2
0.441
PET-UNK-143b31ee-5
0.441
PET-UNK-4dc48bbe-8
0.436
VLA-UNK-70dd90ef-2
0.436
VLA-UNK-cf7facf1-1
0.433
VLA-UCB-34f3ed0c-11
0.433
VLA-UCB-29506327-1
0.433
VLA-MRT-a639d434-2
0.431
VLA-MRT-8c78ee15-4
0.431
VLA-UNK-ba665ac8-2
0.431
EDJ-MED-7587a9ee-3
0.426
PET-UNK-689df078-3
0.424
PET-UNK-4c71d490-3
0.422
PET-UNK-4c71d490-7
0.422
MAT-POS-2e8b2191-8
0.422
EDJ-MED-7587a9ee-1
0.422
VLA-MRT-8c78ee15-3
0.420
PET-UNK-94036022-7
0.420
PET-UNK-94036022-14
0.420
MAT-POS-ddfe83c6-4
0.420
VLA-MRT-a639d434-1
0.420
JAG-UCB-f37eaa14-2
0.419
VLA-UNK-83c3754c-2
0.419
DAR-DIA-6be260fc-1
0.419
PET-UNK-4dc48bbe-6
0.418
VLA-UCB-1dbca3b4-17
0.418
ALP-POS-ecbed2ba-20
0.418
LUO-POS-e1dab717-19
0.418
VLA-UCB-1dbca3b4-3
0.417
PET-UNK-4c71d490-4
0.415
PET-UNK-4c71d490-8
0.415
VLA-UNK-3bd6fc51-1
0.414
LUO-POS-ed2cfb03-2
0.414
PET-UNK-143b31ee-3
0.413
PET-UNK-143b31ee-6
0.413