Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(C1)NC(=O)N(c1cncc3ccccc13)C2=O |
MW: | 449.13 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 94.64 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-MRT-8c78ee15-3
1.000
MAT-POS-ddfe83c6-4
1.000
VLA-MRT-8c78ee15-4
0.854
VLA-MRT-a639d434-2
0.854
MAT-POS-ddfe83c6-3
0.673
PET-UNK-eeb64427-2
0.644
PET-UNK-eeb64427-5
0.644
PET-UNK-94036022-7
0.615
JOH-MSK-1f2dff76-1
0.615
MAT-POS-1bed62cf-3
0.615
JOH-MSK-1f2dff76-2
0.615
PET-UNK-94036022-14
0.615
MAT-POS-ddfe83c6-5
0.610
PET-UNK-eeb64427-1
0.607
PET-UNK-eeb64427-6
0.607
PET-UNK-eeb64427-3
0.607
PET-UNK-eeb64427-4
0.607
MIC-UNK-eb20c3e1-1
0.604
EDJ-MED-24007d8a-1
0.598
JOH-MSK-4bb3d434-3
0.594
MAT-POS-c2d406ed-1
0.586
MIK-ENA-f156d06e-1
0.586
LUO-POS-f7b1afe6-3
0.581
LUO-POS-868e8996-11
0.575
MAT-POS-c7726e07-5
0.575
EDJ-MED-8bb691af-4
0.575
MAT-POS-c7726e07-6
0.575
LUO-POS-868e8996-12
0.575
MAT-POS-ddfe83c6-2
0.574
MAT-POS-50a80394-7
0.570
LUO-POS-f7b1afe6-4
0.570
VLA-MRT-8c78ee15-1
0.564
VLA-MRT-8c78ee15-2
0.564
VLA-MRT-a639d434-3
0.564
EDJ-MED-8bb691af-1
0.562
EDJ-MED-8bb691af-3
0.561
MAT-POS-50a80394-4
0.556
MAT-POS-50a80394-5
0.556
LUO-POS-e1dab717-18
0.556
ALP-POS-133e7cd9-1
0.550
LUO-POS-e1dab717-17
0.545
MAT-POS-50a80394-6
0.536
VLA-UNK-70dd90ef-4
0.529
VLA-UNK-83c3754c-1
0.529
LUO-POS-5857a86a-4
0.527
VLA-UCB-34f3ed0c-11
0.519
VLA-UCB-29506327-1
0.519
VLA-UNK-cf7facf1-1
0.519
MIK-ENA-4a1c9a78-1
0.518
MIK-ENA-1494235a-1
0.518
MIK-ENA-4ed700b1-1
0.518
VLA-UNK-70dd90ef-1
0.515
EDJ-MED-3af0740c-6
0.496
PET-UNK-4c71d490-1
0.496
PET-UNK-4c71d490-5
0.496
MAT-POS-ddfe83c6-6
0.496
MAT-POS-89bd6af1-3
0.495
MAT-UNK-28cf4d29-1
0.495
ALP-POS-e266d783-2
0.495
MIC-UNK-eb20c3e1-4
0.491
VLA-UNK-5d8210f0-1
0.487
LUO-POS-e1dab717-19
0.486
EDJ-MED-3af0740c-7
0.484
EDJ-MED-24007d8a-2
0.483
EDJ-MED-6b23330e-4
0.483
MAT-POS-69786b79-3
0.483
EDJ-MED-b1cef252-1
0.482
MAT-POS-83a7b0a0-1
0.482
MAT-POS-89bd6af1-4
0.482
VLA-UNK-70dd90ef-2
0.481
MAT-POS-c2d406ed-3
0.479
MAT-POS-e75f6e44-6
0.479
ALP-POS-ecbed2ba-14
0.479
EDJ-MED-3af0740c-8
0.476
JOH-MSK-ccc6e4c0-1
0.475
EDJ-MED-6b23330e-7
0.475
PET-UNK-4c71d490-3
0.475
PET-UNK-4c71d490-7
0.475
EDJ-MED-6b23330e-1
0.475
EDJ-MED-6b23330e-2
0.475
EDJ-MED-6b23330e-5
0.475
MAT-POS-e75f6e44-4
0.475
LUO-POS-868e8996-7
0.474
VLA-UNK-5d8210f0-4
0.474
ALP-POS-c3a90b22-6
0.474
LUO-POS-868e8996-8
0.474
MAT-POS-1bed62cf-2
0.474
VLA-UNK-3a43cd95-2
0.472
MAT-POS-38eb6498-5
0.471
MAT-POS-e75f6e44-7
0.471
VLA-UNK-5d8210f0-2
0.470
VLA-UNK-56836b69-2
0.467
MAT-POS-e75f6e44-15
0.467
EDJ-MED-6b23330e-6
0.467
MAT-POS-e75f6e44-19
0.467
MAT-POS-566864e2-2
0.466
LUO-POS-b4dec3be-1
0.466
ALP-POS-ecbed2ba-12
0.466
MAT-POS-69786b79-2
0.466
MIK-ENA-4bb8c98f-1
0.466