Molecular Properties | |
SMILES: | C=C1C(=O)C2(CN(CC(=O)NC)Cc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 460.13 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Filter44_michael_acceptor2
Ketone
Dye 11
PET-UNK-94036022-14
1.000
MAT-POS-1bed62cf-3
0.631
JOH-MSK-1f2dff76-1
0.631
JOH-MSK-1f2dff76-2
0.631
VLA-MRT-8c78ee15-3
0.615
VLA-MRT-a639d434-1
0.615
MAT-POS-ddfe83c6-4
0.615
PET-UNK-94036022-6
0.615
PET-UNK-94036022-13
0.615
PET-UNK-eeb64427-2
0.613
PET-UNK-eeb64427-5
0.613
MAT-POS-ddfe83c6-5
0.610
PET-UNK-eeb64427-1
0.607
PET-UNK-eeb64427-4
0.607
MIC-UNK-eb20c3e1-1
0.604
EDJ-MED-24007d8a-1
0.598
PET-UNK-eeb64427-3
0.593
PET-UNK-eeb64427-6
0.593
LUO-POS-868e8996-12
0.575
EDJ-MED-8bb691af-4
0.575
LUO-POS-868e8996-11
0.575
MAT-POS-c7726e07-5
0.575
MAT-POS-c7726e07-6
0.575
MAT-POS-50a80394-4
0.570
MAT-POS-50a80394-7
0.570
LUO-POS-f7b1afe6-4
0.570
LUO-POS-f7b1afe6-3
0.566
MAT-POS-ddfe83c6-3
0.565
EDJ-MED-8bb691af-1
0.562
MAT-POS-50a80394-5
0.556
LUO-POS-e1dab717-18
0.556
ALP-POS-133e7cd9-1
0.550
EDJ-MED-8bb691af-3
0.546
LUO-POS-e1dab717-17
0.545
MAT-POS-ddfe83c6-2
0.545
MAT-POS-50a80394-6
0.536
VLA-MRT-8c78ee15-4
0.528
VLA-MRT-a639d434-2
0.528
MIK-ENA-1494235a-1
0.518
MIK-ENA-4ed700b1-1
0.518
MIK-ENA-4a1c9a78-1
0.518
MAT-POS-ddfe83c6-6
0.509
EDJ-MED-3af0740c-6
0.496
ALP-POS-e266d783-2
0.495
MAT-UNK-28cf4d29-1
0.495
MAT-POS-89bd6af1-3
0.495
MIC-UNK-eb20c3e1-4
0.491
MAT-POS-1bed62cf-2
0.487
LUO-POS-868e8996-7
0.487
LUO-POS-868e8996-8
0.487
LUO-POS-e1dab717-19
0.486
EDJ-MED-3af0740c-7
0.484
EDJ-MED-24007d8a-2
0.483
MAT-POS-38eb6498-5
0.483
MAT-POS-69786b79-3
0.483
MAT-POS-e75f6e44-6
0.479
MAT-POS-b4d6b7fc-5
0.479
ALP-POS-ecbed2ba-14
0.479
LUO-POS-b4dec3be-1
0.479
MIK-ENA-4bb8c98f-1
0.479
MIK-ENA-610c7cf9-1
0.479
LUO-POS-b4dec3be-2
0.479
MAT-POS-e75f6e44-5
0.479
EDJ-MED-3af0740c-8
0.476
PET-UNK-4c71d490-3
0.475
EDJ-MED-6b23330e-1
0.475
EDJ-MED-6b23330e-7
0.475
PET-UNK-4c71d490-7
0.475
EDJ-MED-6b23330e-2
0.475
MAT-POS-e75f6e44-4
0.475
EDJ-MED-6b23330e-5
0.475
VLA-UNK-5d8210f0-1
0.474
PET-UNK-df7eb4e6-2
0.474
PET-UNK-df7eb4e6-6
0.474
VLA-UNK-5d8210f0-4
0.474
ALP-POS-c3a90b22-6
0.474
JOH-MSK-51c67e7d-2
0.472
JOH-MSK-51c67e7d-1
0.472
EDJ-MED-b6c6ee2b-2
0.471
PET-UNK-4c71d490-1
0.471
PET-UNK-4c71d490-5
0.471
MAT-POS-e75f6e44-7
0.471
EDJ-MED-6b23330e-4
0.471
VLA-UNK-5d8210f0-2
0.470
EDJ-MED-b1cef252-1
0.468
MAT-POS-83a7b0a0-1
0.468
MAT-POS-89bd6af1-4
0.468
MAT-POS-e75f6e44-8
0.467
MAT-POS-e75f6e44-9
0.467
EDJ-MED-6b23330e-6
0.467
MAT-POS-e75f6e44-19
0.467
EDJ-MED-cbbe2dbb-3
0.466
BRU-THA-ae0174a8-1
0.466
ALP-POS-ecbed2ba-12
0.466
MAT-POS-69786b79-2
0.466
MAT-POS-566864e2-1
0.466
MAT-POS-566864e2-2
0.466
MAT-POS-e75f6e44-1
0.466
ALP-POS-ecbed2ba-7
0.466
MAT-POS-69786b79-1
0.466