Molecular Properties | |
SMILES: | COC1(CS(=O)(=O)N2CC3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 525.11 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 96.88 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-9f4ac58c-5
0.802
EDJ-MED-9f4ac58c-2
0.794
EDJ-MED-9f4ac58c-8
0.750
EDJ-MED-9f4ac58c-7
0.730
JOH-MSK-4bb3d434-1
0.654
ALP-POS-ecbed2ba-6
0.649
EDJ-MED-9f4ac58c-1
0.640
PET-UNK-14142a25-10
0.636
EDJ-MED-8bb691af-8
0.636
MIK-ENA-37e0b697-1
0.636
PET-UNK-14142a25-1
0.636
LUO-POS-9931618f-1
0.636
MIK-ENA-794411b8-1
0.636
LUO-POS-9931618f-2
0.636
PET-UNK-aa57768f-2
0.632
PET-UNK-aa57768f-8
0.632
PET-UNK-aa57768f-3
0.632
PET-UNK-aa57768f-9
0.632
ALP-POS-c3a90b22-8
0.628
EDJ-MED-40e596c8-5
0.625
EDJ-MED-0d144977-5
0.619
EDJ-MED-33064c06-18
0.616
PET-UNK-37c7074c-1
0.613
PET-UNK-37c7074c-3
0.613
EDJ-MED-7d88f880-3
0.610
EDJ-MED-0d144977-2
0.607
ALP-POS-c3a90b22-5
0.607
EDJ-MED-33064c06-1
0.605
EDJ-MED-33064c06-2
0.602
EDJ-MED-9f4ac58c-4
0.602
PET-UNK-37c7074c-2
0.598
PET-UNK-37c7074c-4
0.598
PET-UNK-6af7266d-3
0.598
PET-UNK-6af7266d-1
0.598
EDJ-MED-cc48ee33-7
0.596
EDJ-MED-0d144977-3
0.596
EDJ-MED-0d144977-1
0.596
EDJ-MED-4cb9dd84-1
0.596
PET-UNK-aa57768f-1
0.593
PET-UNK-aa57768f-7
0.593
EDJ-MED-0d144977-4
0.591
MAT-POS-576f7758-2
0.588
EDJ-MED-976a33d5-1
0.588
LUO-POS-e1dab717-2
0.588
MAT-POS-e48723dc-1
0.588
MAT-POS-e48723dc-2
0.588
EDJ-MED-9f4ac58c-3
0.587
EDJ-MED-33064c06-5
0.586
EDJ-MED-33064c06-12
0.586
EDJ-MED-33064c06-8
0.583
ALP-POS-c3a90b22-11
0.581
ALP-POS-c3a90b22-3
0.581
EDJ-MED-98c0a822-4
0.581
EDJ-MED-33064c06-3
0.581
EDJ-MED-33064c06-13
0.581
ALP-POS-c3a90b22-1
0.578
EDJ-MED-98c0a822-3
0.578
EDJ-MED-3af0740c-1
0.578
EDJ-MED-33064c06-15
0.578
ALP-POS-c3a90b22-12
0.576
EDJ-MED-33064c06-9
0.576
EDJ-MED-33064c06-17
0.576
EDJ-MED-33064c06-14
0.573
EDJ-MED-cc48ee33-2
0.568
EDJ-MED-40e596c8-4
0.568
EDJ-MED-33064c06-10
0.568
EDJ-MED-33064c06-6
0.567
EDJ-MED-59d5ca70-1
0.567
EDJ-MED-33064c06-4
0.563
ALP-POS-ecbed2ba-3
0.557
PET-UNK-14142a25-2
0.557
PET-UNK-14142a25-11
0.557
EDJ-MED-33064c06-16
0.555
MAT-POS-e75f6e44-10
0.555
EDJ-MED-7587a9ee-3
0.555
PET-UNK-aa57768f-5
0.553
PET-UNK-aa57768f-6
0.553
PET-UNK-aa57768f-11
0.553
PET-UNK-aa57768f-12
0.553
EDJ-MED-33064c06-11
0.549
ALP-POS-c3a90b22-9
0.549
EDJ-MED-fed7ac0b-3
0.545
EDJ-MED-40e596c8-1
0.534
PET-UNK-94036022-9
0.534
PET-UNK-94036022-2
0.534
LUO-POS-e1dab717-19
0.531
PET-UNK-94036022-3
0.530
PET-UNK-94036022-10
0.530
EDJ-MED-3707c4bc-1
0.530
EDJ-MED-3707c4bc-2
0.530
ALP-POS-ecbed2ba-4
0.529
MIK-ENA-5d9157e9-1
0.529
EDJ-MED-8bb691af-6
0.529
MIK-ENA-5d9157e9-2
0.529
LUO-POS-ed2cfb03-2
0.526
VLA-UNK-61877630-10
0.525
EDJ-MED-5cd3920d-6
0.525
LUO-POS-868e8996-12
0.522
EDJ-MED-8bb691af-4
0.522
LUO-POS-8c3e556a-1
0.522