Molecular Properties | |
SMILES: | O=C1c2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)CN1CS(=O)(=O)NCC1CC1 |
MW: | 524.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 99.68 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-22 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-c7726e07-5
EDJ-MED-4cb9dd84-1
0.731
ALP-POS-c3a90b22-8
0.717
ALP-POS-c3a90b22-11
0.710
JOH-MSK-4bb3d434-1
0.699
MIK-ENA-37e0b697-1
0.696
PET-UNK-14142a25-1
0.696
LUO-POS-9931618f-1
0.696
MIK-ENA-794411b8-1
0.696
LUO-POS-9931618f-2
0.696
PET-UNK-14142a25-10
0.696
EDJ-MED-8bb691af-8
0.696
PET-UNK-aa57768f-3
0.693
PET-UNK-aa57768f-9
0.693
PET-UNK-aa57768f-2
0.693
PET-UNK-aa57768f-8
0.693
EDJ-MED-40e596c8-2
0.692
EDJ-MED-33064c06-18
0.689
EDJ-MED-40e596c8-4
0.679
EDJ-MED-33064c06-4
0.673
ALP-POS-c3a90b22-12
0.673
EDJ-MED-33064c06-9
0.673
ALP-POS-c3a90b22-5
0.664
EDJ-MED-33064c06-6
0.661
EDJ-MED-59d5ca70-1
0.661
EDJ-MED-33064c06-2
0.657
PET-UNK-6af7266d-3
0.654
PET-UNK-6af7266d-1
0.654
PET-UNK-37c7074c-1
0.654
PET-UNK-37c7074c-3
0.654
PET-UNK-37c7074c-2
0.654
PET-UNK-37c7074c-4
0.654
EDJ-MED-33064c06-8
0.651
PET-UNK-aa57768f-1
0.648
PET-UNK-aa57768f-7
0.648
EDJ-MED-0d144977-2
0.648
EDJ-MED-3af0740c-1
0.645
EDJ-MED-0d144977-5
0.645
EDJ-MED-33064c06-1
0.645
EDJ-MED-33064c06-15
0.645
EDJ-MED-33064c06-5
0.640
EDJ-MED-33064c06-12
0.640
EDJ-MED-33064c06-14
0.640
EDJ-MED-cc48ee33-7
0.636
EDJ-MED-0d144977-3
0.636
EDJ-MED-0d144977-1
0.636
EDJ-MED-33064c06-3
0.634
EDJ-MED-33064c06-10
0.634
EDJ-MED-0d144977-4
0.631
EDJ-MED-33064c06-17
0.628
EDJ-MED-9f4ac58c-6
0.625
EDJ-MED-9f4ac58c-2
0.616
MAT-POS-576f7758-2
0.613
EDJ-MED-976a33d5-1
0.613
LUO-POS-e1dab717-2
0.613
MAT-POS-e48723dc-1
0.613
MAT-POS-e48723dc-2
0.613
ALP-POS-c3a90b22-1
0.602
EDJ-MED-98c0a822-3
0.602
PET-UNK-14142a25-2
0.595
PET-UNK-14142a25-11
0.595
PET-UNK-aa57768f-5
0.591
PET-UNK-aa57768f-6
0.591
PET-UNK-aa57768f-11
0.591
PET-UNK-aa57768f-12
0.591
EDJ-MED-33064c06-11
0.585
ALP-POS-c3a90b22-9
0.585
MIK-ENA-93ef1e28-1
0.584
EDJ-MED-4cb9dd84-2
0.584
MIK-ENA-434a856c-1
0.584
JAG-UCB-f37eaa14-4
0.580
EDJ-MED-cc48ee33-2
0.578
EDJ-MED-33064c06-13
0.578
ALP-POS-c3a90b22-3
0.578
EDJ-MED-98c0a822-4
0.578
EDJ-MED-40e596c8-1
0.571
ALP-POS-ecbed2ba-12
0.570
MAT-POS-566864e2-1
0.570
MAT-POS-566864e2-2
0.570
LUO-POS-8c3e556a-2
0.559
EDG-MED-b1ef7fe3-4
0.559
LUO-POS-8c3e556a-1
0.559
EDG-MED-b1ef7fe3-1
0.559
PET-UNK-aa57768f-4
0.556
PET-UNK-aa57768f-10
0.556
MAT-POS-e75f6e44-13
0.556
LUO-POS-e1dab717-12
0.555
MAT-POS-ddfe83c6-1
0.552
EDJ-MED-7d88f880-1
0.551
EDJ-MED-7587a9ee-3
0.550
VLA-UNK-61877630-5
0.548
VLA-UNK-8e615992-2
0.548
EDJ-MED-59d5ca70-2
0.546
ALP-POS-afe0272e-2
0.545
LUO-POS-e1dab717-19
0.541
MAT-POS-38eb6498-6
0.538
MIK-ENA-9eb8d9fb-1
0.537
LUO-POS-ed2cfb03-2
0.536
EDJ-MED-b6c6ee2b-6
0.534
EDG-MED-b1ef7fe3-2
0.534
MAT-POS-c7726e07-6
0.531