Molecular Properties | |
SMILES: | O=C1c2ccc(Cl)cc2[C@@]2(CC(=O)N(c3cncc4ccccc34)C2=O)CN1Cc1nnco1 |
MW: | 473.09 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 109.5 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
PET-UNK-df7eb4e6-6
12_-111-3e02a1cd-1
1.000
PET-UNK-77d5678a-5
1.000
PET-UNK-6af7266d-2
0.762
PET-UNK-6af7266d-4
0.762
PET-UNK-626a1084-3
0.730
PET-UNK-626a1084-1
0.730
PET-UNK-626a1084-2
0.713
PET-UNK-626a1084-4
0.713
PET-UNK-aa57768f-1
0.695
PET-UNK-aa57768f-7
0.695
12_-111-3e02a1cd-2
0.695
JOH-MSK-4bb3d434-2
0.695
PET-UNK-77d5678a-6
0.695
PET-UNK-77d5678a-3
0.695
MAT-POS-1bed62cf-2
0.686
LUO-POS-868e8996-7
0.686
LUO-POS-868e8996-8
0.686
PET-UNK-aa57768f-10
0.655
PET-UNK-aa57768f-4
0.655
PET-UNK-4c71d490-3
0.538
PET-UNK-4c71d490-7
0.538
PET-UNK-77d5678a-1
0.530
PET-UNK-77d5678a-4
0.530
JOH-MSK-51c67e7d-1
0.528
JOH-MSK-51c67e7d-2
0.528
PET-UNK-6af7266d-3
0.526
PET-UNK-6af7266d-1
0.526
PET-UNK-37c7074c-2
0.513
PET-UNK-37c7074c-4
0.513
BEN-BAS-c2bc0d80-6
0.509
MAT-POS-94643566-1
0.509
VLA-UCB-05e51b3f-5
0.509
VLA-UCB-50c39ae8-2
0.509
PET-UNK-4c71d490-5
0.508
PET-UNK-4c71d490-1
0.508
MAT-POS-1bed62cf-3
0.500
PET-UNK-37c7074c-1
0.500
PET-UNK-37c7074c-3
0.500
PET-UNK-aa57768f-8
0.500
PET-UNK-94036022-5
0.500
JOH-MSK-1f2dff76-1
0.500
JOH-MSK-1f2dff76-2
0.500
PET-UNK-aa57768f-2
0.500
PET-UNK-94036022-12
0.500
EDJ-MED-0d144977-2
0.496
PET-UNK-f360ae44-3
0.488
PET-UNK-f360ae44-11
0.488
EDJ-MED-0d144977-3
0.488
EDJ-MED-cc48ee33-7
0.488
EDJ-MED-0d144977-1
0.488
PET-UNK-aa57768f-9
0.487
PET-UNK-aa57768f-3
0.487
EDJ-MED-0d144977-4
0.484
JOH-MSK-4bb3d434-1
0.483
PET-UNK-94036022-11
0.479
PET-UNK-94036022-4
0.479
LUO-POS-9931618f-2
0.479
PET-UNK-14142a25-10
0.479
EDJ-MED-8bb691af-8
0.479
MIK-ENA-37e0b697-1
0.479
MIK-ENA-794411b8-1
0.479
PET-UNK-14142a25-1
0.479
LUO-POS-9931618f-1
0.479
JOH-MSK-1f2dff76-4
0.473
JOH-MSK-1f2dff76-3
0.473
VLA-UNK-70dd90ef-3
0.473
LUO-POS-868e8996-9
0.472
LUO-POS-868e8996-10
0.472
EDJ-MED-0d144977-5
0.472
MAT-POS-1bed62cf-1
0.472
PET-UNK-aa57768f-5
0.471
PET-UNK-aa57768f-11
0.471
JOH-MSK-4bb3d434-3
0.471
PET-UNK-4c71d490-4
0.468
PET-UNK-4c71d490-8
0.468
EDJ-MED-33064c06-8
0.463
EDJ-MED-33064c06-1
0.460
ALP-POS-c3a90b22-5
0.459
PET-UNK-aa57768f-12
0.458
PET-UNK-aa57768f-6
0.458
ALP-POS-c3a90b22-8
0.456
EDJ-MED-33064c06-14
0.456
EDJ-MED-fed7ac0b-1
0.455
EDJ-MED-33064c06-2
0.455
EDJ-MED-33064c06-18
0.455
EDJ-MED-40e596c8-4
0.452
EDJ-MED-4cb9dd84-1
0.452
EDJ-MED-40e596c8-5
0.452
PET-UNK-14142a25-2
0.451
PET-UNK-14142a25-11
0.451
EDJ-MED-33064c06-9
0.449
ALP-POS-c3a90b22-12
0.449
EDJ-MED-3af0740c-1
0.448
EDJ-MED-33064c06-15
0.448
VLA-UCB-05e51b3f-6
0.444
VLA-UCB-50c39ae8-3
0.444
EDJ-MED-33064c06-5
0.444
EDJ-MED-33064c06-12
0.444
VLA-UNK-3a43cd95-4
0.443
VLA-UNK-c65c1026-2
0.443