Molecular Properties | |
SMILES: | O=C1c2ccc(Cl)cc2[C@@]2(CC(=O)N(c3cncc4ccccc34)C2=O)CN1Cc1nncs1 |
MW: | 489.07 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 96.36 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
PET-UNK-6af7266d-4
1.000
12_-111-3e02a1cd-1
0.762
PET-UNK-77d5678a-2
0.762
PET-UNK-77d5678a-5
0.762
PET-UNK-626a1084-1
0.745
PET-UNK-626a1084-3
0.745
PET-UNK-626a1084-2
0.727
PET-UNK-626a1084-4
0.727
LUO-POS-868e8996-7
0.699
PET-UNK-6af7266d-1
0.699
MAT-POS-1bed62cf-2
0.699
LUO-POS-868e8996-8
0.699
PET-UNK-6af7266d-3
0.699
12_-111-3e02a1cd-2
0.692
PET-UNK-77d5678a-3
0.692
JOH-MSK-4bb3d434-2
0.692
PET-UNK-77d5678a-6
0.692
PET-UNK-77d5678a-1
0.670
PET-UNK-77d5678a-4
0.670
PET-UNK-4c71d490-3
0.548
PET-UNK-4c71d490-7
0.548
JOH-MSK-51c67e7d-1
0.538
JOH-MSK-51c67e7d-2
0.538
PET-UNK-7e9559de-1
0.521
PET-UNK-7e9559de-4
0.521
MAT-POS-96396902-1
0.521
PET-UNK-aa57768f-1
0.517
PET-UNK-aa57768f-7
0.517
PET-UNK-4c71d490-1
0.517
PET-UNK-4c71d490-5
0.517
PET-UNK-aa57768f-2
0.509
PET-UNK-aa57768f-8
0.509
MAT-POS-1bed62cf-3
0.509
JOH-MSK-1f2dff76-1
0.509
JOH-MSK-1f2dff76-2
0.509
PET-UNK-37c7074c-2
0.509
PET-UNK-37c7074c-4
0.509
PET-UNK-f360ae44-12
0.508
PET-UNK-f360ae44-4
0.508
EDJ-MED-0d144977-2
0.504
PET-UNK-37c7074c-1
0.496
PET-UNK-37c7074c-3
0.496
PET-UNK-94036022-5
0.496
PET-UNK-94036022-12
0.496
PET-UNK-aa57768f-3
0.496
PET-UNK-aa57768f-9
0.496
EDJ-MED-0d144977-4
0.492
MAT-POS-94643566-1
0.491
VLA-UCB-05e51b3f-5
0.491
VLA-UCB-50c39ae8-2
0.491
BEN-BAS-c2bc0d80-6
0.491
PET-UNK-4c71d490-4
0.488
PET-UNK-4c71d490-8
0.488
PET-UNK-aa57768f-4
0.488
PET-UNK-aa57768f-10
0.488
PET-UNK-7e9559de-2
0.488
PET-UNK-7e9559de-5
0.488
PET-UNK-94036022-4
0.487
PET-UNK-94036022-11
0.487
PET-UNK-14142a25-10
0.487
LUO-POS-9931618f-1
0.487
PET-UNK-14142a25-1
0.487
MIK-ENA-37e0b697-1
0.487
MIK-ENA-794411b8-1
0.487
LUO-POS-9931618f-2
0.487
EDJ-MED-8bb691af-8
0.487
EDJ-MED-0d144977-1
0.483
EDJ-MED-0d144977-3
0.483
EDJ-MED-cc48ee33-7
0.483
JOH-MSK-1f2dff76-4
0.482
JOH-MSK-1f2dff76-3
0.482
LUO-POS-868e8996-9
0.479
EDJ-MED-33064c06-1
0.479
MAT-POS-1bed62cf-1
0.479
LUO-POS-868e8996-10
0.479
EDJ-MED-0d144977-5
0.479
PET-UNK-aa57768f-5
0.479
PET-UNK-aa57768f-11
0.479
JOH-MSK-4bb3d434-1
0.479
EDJ-MED-33064c06-2
0.475
PET-UNK-7e9559de-3
0.472
PET-UNK-7e9559de-6
0.472
EDJ-MED-33064c06-8
0.471
ALP-POS-c3a90b22-5
0.467
PET-UNK-aa57768f-6
0.466
PET-UNK-aa57768f-12
0.466
EDJ-MED-33064c06-14
0.463
ALP-POS-c3a90b22-8
0.463
EDJ-MED-33064c06-18
0.463
EDJ-MED-33064c06-10
0.460
EDJ-MED-40e596c8-5
0.459
EDJ-MED-4cb9dd84-1
0.459
PET-UNK-14142a25-2
0.458
PET-UNK-14142a25-11
0.458
PET-UNK-4c71d490-2
0.456
PET-UNK-4c71d490-6
0.456
EDJ-MED-3af0740c-1
0.455
EDJ-MED-33064c06-15
0.455
VLA-UNK-70dd90ef-3
0.455
JOH-MSK-4bb3d434-3
0.454