Molecular Properties | |
SMILES: | N#CCCS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
MW: | 480.1 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-22 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-8bb691af-6
EDJ-MED-accc2c4d-3
0.833
EDJ-MED-8bb691af-6
0.790
ALP-POS-ecbed2ba-4
0.790
MIK-ENA-5d9157e9-2
0.790
MIK-ENA-5d9157e9-1
0.790
ALP-POS-ecbed2ba-22
0.777
ALP-POS-ecbed2ba-8
0.775
ALP-POS-ecbed2ba-13
0.775
PET-UNK-94036022-2
0.762
PET-UNK-94036022-9
0.762
ALP-POS-ecbed2ba-3
0.760
PET-UNK-94036022-3
0.760
PET-UNK-94036022-10
0.760
EDJ-MED-3707c4bc-1
0.760
EDJ-MED-3707c4bc-2
0.760
ALP-POS-ecbed2ba-15
0.760
ALP-POS-ecbed2ba-16
0.760
EDJ-MED-4138fde9-7
0.752
ALP-POS-ecbed2ba-5
0.748
EDJ-MED-4138fde9-8
0.745
EDJ-MED-7587a9ee-3
0.732
ALP-POS-ecbed2ba-11
0.731
ALP-POS-ecbed2ba-6
0.731
EDJ-MED-5cd3920d-5
0.731
EDJ-MED-5cd3920d-6
0.731
VLA-UNK-61877630-10
0.731
ALP-POS-ecbed2ba-17
0.731
LUO-POS-ed2cfb03-2
0.727
EDJ-MED-accc2c4d-4
0.725
ALP-POS-ecbed2ba-2
0.725
ALP-POS-ecbed2ba-1
0.724
EDJ-MED-4138fde9-9
0.724
ALP-POS-ecbed2ba-20
0.717
ALP-POS-ecbed2ba-18
0.709
EDJ-MED-accc2c4d-2
0.705
ALP-POS-ecbed2ba-9
0.705
ALP-POS-ecbed2ba-19
0.689
ALP-POS-ecbed2ba-21
0.685
LUO-POS-ed2cfb03-1
0.683
ALP-POS-ecbed2ba-10
0.679
ALP-POS-133e7cd9-2
0.670
ALP-POS-c3a90b22-7
0.657
EDJ-MED-40e596c8-1
0.651
LUO-POS-e1dab717-19
0.650
ALP-POS-ecbed2ba-14
0.648
EDJ-MED-b6c6ee2b-4
0.648
VLA-UNK-3bd6fc51-1
0.629
MAT-POS-c7726e07-6
0.623
EDJ-MED-8bb691af-4
0.623
MAT-POS-c7726e07-5
0.623
LUO-POS-868e8996-11
0.623
LUO-POS-868e8996-12
0.623
EDJ-MED-40e596c8-2
0.622
MAT-POS-853c0ffa-13
0.619
VLA-UNK-61877630-8
0.619
VLA-UNK-e334495f-2
0.619
EDJ-MED-7587a9ee-2
0.619
MAT-POS-e75f6e44-1
0.618
MAT-POS-69786b79-4
0.616
EDJ-MED-6b23330e-1
0.613
MIK-ENA-bb7b6957-1
0.612
EDJ-MED-b6c6ee2b-3
0.612
MIK-ENA-60569a44-1
0.612
MAT-POS-e75f6e44-11
0.611
MAT-POS-e75f6e44-17
0.607
MAT-POS-69786b79-2
0.604
MAT-POS-853c0ffa-21
0.602
ALP-POS-c3a90b22-6
0.600
EDJ-MED-5cd3920d-2
0.598
PET-UNK-7e9559de-1
0.598
MAT-POS-96396902-1
0.598
PET-UNK-7e9559de-4
0.598
EDJ-MED-6b23330e-3
0.595
MAT-POS-69786b79-3
0.595
MAT-POS-853c0ffa-11
0.593
MAT-POS-38eb6498-2
0.592
MAT-POS-566864e2-3
0.591
ALP-POS-ecbed2ba-7
0.591
MAT-POS-576f7758-1
0.591
LUO-POS-e1dab717-1
0.591
MAT-POS-566864e2-4
0.591
MAT-POS-69786b79-1
0.591
MAT-POS-853c0ffa-15
0.590
MIK-ENA-1494235a-1
0.589
MIK-ENA-4ed700b1-1
0.589
BRU-THA-ae0174a8-1
0.589
MIK-ENA-4a1c9a78-1
0.589
MAT-POS-566864e2-1
0.589
MAT-POS-566864e2-2
0.589
MAT-POS-e75f6e44-5
0.589
ALP-POS-ecbed2ba-12
0.589
EDJ-MED-ee81482e-1
0.587
PET-UNK-143b31ee-1
0.586
PET-UNK-143b31ee-4
0.586
MAT-POS-e75f6e44-2
0.584
EDJ-MED-6b23330e-2
0.584
EDJ-MED-6b23330e-5
0.584
MAT-POS-e75f6e44-4
0.584
EDJ-MED-6b23330e-7
0.584
MAT-POS-e75f6e44-3
0.584