Molecular Properties | |
SMILES: | COC(=O)CN1CC2(CC(=O)N(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 463.09 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 96.88 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Ester
12_-111-3e02a1cd-2
1.000
JOH-MSK-4bb3d434-2
1.000
PET-UNK-77d5678a-6
1.000
LUO-POS-868e8996-8
0.842
MAT-POS-1bed62cf-2
0.842
LUO-POS-868e8996-7
0.842
PET-UNK-626a1084-4
0.727
PET-UNK-626a1084-2
0.727
PET-UNK-626a1084-3
0.727
PET-UNK-626a1084-1
0.727
JOH-MSK-4bb3d434-1
0.696
PET-UNK-77d5678a-2
0.695
12_-111-3e02a1cd-1
0.695
PET-UNK-77d5678a-5
0.695
PET-UNK-6af7266d-2
0.692
PET-UNK-6af7266d-4
0.692
PET-UNK-4c71d490-3
0.648
PET-UNK-4c71d490-7
0.648
JOH-MSK-4bb3d434-3
0.648
JOH-MSK-4bb3d434-5
0.600
PET-UNK-4c71d490-1
0.598
PET-UNK-4c71d490-5
0.598
PET-UNK-14142a25-1
0.583
LUO-POS-9931618f-1
0.583
LUO-POS-9931618f-2
0.583
PET-UNK-14142a25-10
0.583
EDJ-MED-8bb691af-8
0.583
MIK-ENA-37e0b697-1
0.583
MIK-ENA-794411b8-1
0.583
MAT-POS-1bed62cf-3
0.578
JOH-MSK-1f2dff76-1
0.578
JOH-MSK-1f2dff76-2
0.578
JOH-MSK-4bb3d434-4
0.577
JOH-MSK-51c67e7d-2
0.567
JOH-MSK-51c67e7d-1
0.567
EDJ-MED-33064c06-1
0.557
PET-UNK-14142a25-11
0.549
PET-UNK-14142a25-2
0.549
EDJ-MED-4cb9dd84-1
0.548
EDJ-MED-fed7ac0b-1
0.539
EDJ-MED-33064c06-2
0.539
EDJ-MED-33064c06-18
0.539
PET-UNK-4c71d490-8
0.538
PET-UNK-4c71d490-4
0.538
EDJ-MED-33064c06-5
0.538
EDJ-MED-33064c06-12
0.538
MIC-UNK-eb20c3e1-2
0.534
EDJ-MED-33064c06-8
0.534
ALP-POS-c3a90b22-11
0.534
EDJ-MED-33064c06-3
0.534
EDJ-MED-33064c06-10
0.534
ALP-POS-c3a90b22-5
0.530
EDJ-MED-3af0740c-1
0.530
EDJ-MED-33064c06-15
0.530
PET-UNK-77d5678a-1
0.526
PET-UNK-77d5678a-4
0.526
EDJ-MED-33064c06-14
0.525
EDJ-MED-33064c06-6
0.521
EDJ-MED-33064c06-9
0.517
ALP-POS-c3a90b22-12
0.517
EDJ-MED-33064c06-4
0.517
EDJ-MED-33064c06-17
0.517
EDJ-MED-a6bd6de0-1
0.513
EDJ-MED-b0f3342b-1
0.513
PET-UNK-aa57768f-2
0.509
PET-UNK-aa57768f-3
0.509
PET-UNK-aa57768f-8
0.509
PET-UNK-aa57768f-9
0.509
PET-UNK-94036022-12
0.509
PET-UNK-94036022-5
0.509
BEN-BAS-c2bc0d80-6
0.505
MAT-POS-94643566-1
0.505
VLA-UCB-05e51b3f-5
0.505
VLA-UCB-50c39ae8-2
0.505
EDJ-MED-8bb691af-9
0.504
EDJ-MED-40e596c8-4
0.496
EDJ-MED-cc48ee33-7
0.496
EDJ-MED-0d144977-1
0.496
EDJ-MED-40e596c8-5
0.496
EDJ-MED-0d144977-3
0.496
PET-UNK-6af7266d-1
0.496
EDJ-MED-a12e3a20-2
0.496
PET-UNK-6af7266d-3
0.496
EDJ-MED-0d144977-4
0.492
PET-UNK-aa57768f-1
0.492
PET-UNK-aa57768f-7
0.492
EDJ-MED-0d144977-2
0.492
LUO-POS-e1dab717-2
0.487
MAT-POS-e48723dc-1
0.487
PET-UNK-94036022-4
0.487
EDJ-MED-976a33d5-1
0.487
MAT-POS-576f7758-2
0.487
PET-UNK-94036022-11
0.487
MAT-POS-e48723dc-2
0.487
EDG-MED-b1ef7fe3-1
0.487
LUO-POS-8c3e556a-1
0.487
LUO-POS-8c3e556a-2
0.487
EDJ-MED-3af0740c-5
0.484
EDJ-MED-cc48ee33-2
0.484
PET-UNK-14142a25-8
0.483