Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1 |
MW: | 448.13 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 2.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAT-POS-1bed62cf-3
JOH-MSK-1f2dff76-1
1.000
JOH-MSK-1f2dff76-2
1.000
PET-UNK-eeb64427-4
0.755
PET-UNK-eeb64427-1
0.755
PET-UNK-df7eb4e6-2
0.727
PET-UNK-df7eb4e6-6
0.727
PET-UNK-eeb64427-2
0.710
PET-UNK-eeb64427-5
0.710
JOH-MSK-51c67e7d-1
0.691
JOH-MSK-51c67e7d-2
0.691
MAT-POS-c7726e07-6
0.670
EDJ-MED-8bb691af-4
0.670
LUO-POS-868e8996-11
0.670
MAT-POS-c7726e07-5
0.670
LUO-POS-868e8996-12
0.670
PET-UNK-77d5678a-1
0.663
PET-UNK-77d5678a-4
0.663
PET-UNK-eeb64427-3
0.654
PET-UNK-eeb64427-6
0.654
LUO-POS-e1dab717-18
0.647
MAT-POS-1bed62cf-2
0.644
LUO-POS-868e8996-8
0.644
LUO-POS-868e8996-7
0.644
ALP-POS-133e7cd9-1
0.641
MIC-UNK-eb20c3e1-1
0.635
LUO-POS-e1dab717-17
0.635
PET-UNK-94036022-14
0.631
PET-UNK-94036022-7
0.631
MAT-POS-ddfe83c6-5
0.625
PET-UNK-94036022-11
0.617
PET-UNK-94036022-4
0.617
VLA-MRT-8c78ee15-3
0.615
VLA-MRT-a639d434-1
0.615
MAT-POS-ddfe83c6-4
0.615
PET-UNK-94036022-5
0.613
PET-UNK-94036022-12
0.613
EDJ-MED-24007d8a-1
0.598
LUO-POS-868e8996-10
0.591
MAT-POS-1bed62cf-1
0.591
LUO-POS-868e8996-9
0.591
MAT-POS-ddfe83c6-6
0.579
PET-UNK-77d5678a-3
0.578
12_-111-3e02a1cd-2
0.578
JOH-MSK-4bb3d434-2
0.578
PET-UNK-77d5678a-6
0.578
EDJ-MED-8bb691af-3
0.575
MIK-ENA-4a1c9a78-1
0.573
MIK-ENA-1494235a-1
0.573
MIK-ENA-4ed700b1-1
0.573
MAT-POS-69786b79-2
0.573
LUO-POS-f7b1afe6-4
0.570
MAT-POS-50a80394-7
0.570
MAT-POS-e75f6e44-4
0.568
EDJ-MED-6b23330e-5
0.568
LUO-POS-f7b1afe6-3
0.566
MAT-POS-ddfe83c6-3
0.565
MAT-POS-69786b79-3
0.564
JOH-MSK-1f2dff76-3
0.559
JOH-MSK-1f2dff76-4
0.559
ALP-POS-ecbed2ba-14
0.559
MAT-POS-e75f6e44-19
0.558
MAT-POS-e75f6e44-6
0.558
LUO-POS-e1dab717-19
0.557
MAT-POS-50a80394-5
0.556
MAT-POS-50a80394-4
0.556
EDJ-MED-6b23330e-2
0.554
EDJ-MED-6b23330e-1
0.554
EDJ-MED-6b23330e-7
0.554
MAT-POS-38eb6498-5
0.549
EDJ-MED-b6c6ee2b-2
0.549
EDJ-MED-6b23330e-4
0.549
MAT-POS-e75f6e44-7
0.549
EDJ-MED-8bb691af-1
0.547
MAT-POS-ddfe83c6-2
0.545
LUO-POS-b4dec3be-1
0.545
LUO-POS-b4dec3be-2
0.545
MAT-POS-e75f6e44-1
0.545
BRU-THA-ae0174a8-1
0.545
MAT-POS-566864e2-2
0.545
MAT-POS-b4d6b7fc-5
0.545
ALP-POS-ecbed2ba-12
0.545
MIK-ENA-4bb8c98f-1
0.545
MIK-ENA-610c7cf9-1
0.545
MAT-POS-566864e2-1
0.545
MAT-POS-e75f6e44-5
0.545
EDJ-MED-6b23330e-6
0.544
ALP-POS-c3a90b22-6
0.541
MAT-POS-e75f6e44-2
0.540
MAT-POS-e75f6e44-3
0.540
EDJ-MED-33064c06-16
0.539
MAT-POS-e75f6e44-10
0.539
MAT-POS-b4d6b7fc-6
0.536
MAT-POS-1d5ab790-2
0.536
MAT-POS-50a80394-6
0.536
MAT-POS-e75f6e44-17
0.535
MAT-POS-e75f6e44-20
0.534
PET-UNK-626a1084-1
0.532
PET-UNK-626a1084-2
0.532
PET-UNK-626a1084-3
0.532
PET-UNK-626a1084-4
0.532