Molecular Properties | |
SMILES: | N#CCS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
MW: | 466.09 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 94.37 |
cLogP: | 3.23 |
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-1
0.833
ALP-POS-ecbed2ba-22
0.810
ALP-POS-ecbed2ba-13
0.808
MIK-ENA-5d9157e9-1
0.806
EDJ-MED-8bb691af-6
0.806
ALP-POS-ecbed2ba-4
0.806
MIK-ENA-5d9157e9-2
0.806
ALP-POS-ecbed2ba-8
0.790
PET-UNK-94036022-9
0.778
PET-UNK-94036022-2
0.778
ALP-POS-ecbed2ba-3
0.776
PET-UNK-94036022-10
0.776
PET-UNK-94036022-3
0.776
EDJ-MED-3707c4bc-1
0.776
EDJ-MED-3707c4bc-2
0.776
ALP-POS-ecbed2ba-15
0.775
EDJ-MED-4138fde9-7
0.767
ALP-POS-ecbed2ba-5
0.762
ALP-POS-ecbed2ba-11
0.762
EDJ-MED-4138fde9-8
0.760
ALP-POS-ecbed2ba-20
0.750
EDJ-MED-7587a9ee-3
0.747
ALP-POS-ecbed2ba-17
0.745
EDJ-MED-5cd3920d-5
0.745
EDJ-MED-5cd3920d-6
0.745
VLA-UNK-61877630-10
0.745
ALP-POS-ecbed2ba-6
0.745
LUO-POS-ed2cfb03-2
0.742
EDJ-MED-accc2c4d-4
0.740
ALP-POS-ecbed2ba-2
0.738
EDJ-MED-4138fde9-9
0.738
ALP-POS-ecbed2ba-1
0.738
ALP-POS-ecbed2ba-9
0.735
ALP-POS-ecbed2ba-16
0.724
EDJ-MED-accc2c4d-2
0.718
LUO-POS-ed2cfb03-1
0.713
ALP-POS-ecbed2ba-18
0.706
ALP-POS-ecbed2ba-19
0.686
ALP-POS-133e7cd9-2
0.682
ALP-POS-ecbed2ba-10
0.676
ALP-POS-ecbed2ba-21
0.667
ALP-POS-c3a90b22-7
0.654
EDJ-MED-40e596c8-1
0.648
LUO-POS-e1dab717-19
0.647
ALP-POS-ecbed2ba-14
0.645
EDJ-MED-b6c6ee2b-4
0.645
EDJ-MED-7587a9ee-2
0.631
VLA-UNK-61877630-8
0.631
VLA-UNK-e334495f-2
0.631
VLA-UNK-3bd6fc51-1
0.625
MAT-POS-e75f6e44-11
0.622
EDJ-MED-8bb691af-4
0.619
LUO-POS-868e8996-12
0.619
MAT-POS-c7726e07-6
0.619
MAT-POS-c7726e07-5
0.619
LUO-POS-868e8996-11
0.619
EDJ-MED-40e596c8-2
0.618
MAT-POS-853c0ffa-13
0.616
MAT-POS-e75f6e44-1
0.615
MAT-POS-853c0ffa-15
0.614
MAT-POS-69786b79-4
0.613
MAT-POS-853c0ffa-22
0.607
EDJ-MED-6b23330e-3
0.605
MAT-POS-853c0ffa-11
0.603
MAT-POS-69786b79-1
0.602
LUO-POS-e1dab717-1
0.602
MAT-POS-566864e2-3
0.602
MAT-POS-566864e2-4
0.602
ALP-POS-ecbed2ba-7
0.602
MAT-POS-576f7758-1
0.602
MAT-POS-69786b79-2
0.600
MIK-ENA-1494235a-1
0.600
MIK-ENA-4ed700b1-1
0.600
MIK-ENA-4a1c9a78-1
0.600
MAT-POS-853c0ffa-21
0.598
ALP-POS-c3a90b22-6
0.596
EDJ-MED-5cd3920d-2
0.595
MIK-ENA-bb7b6957-1
0.595
MIK-ENA-60569a44-1
0.595
EDJ-MED-b6c6ee2b-3
0.595
EDJ-MED-6b23330e-1
0.595
VLA-UNK-e334495f-1
0.593
VLA-UNK-61877630-7
0.593
MAT-POS-853c0ffa-20
0.591
MAT-POS-69786b79-3
0.591
MAT-POS-853c0ffa-9
0.590
LUO-POS-8484f2d3-1
0.590
MIK-ENA-8063e9dc-1
0.590
MAT-POS-38eb6498-1
0.590
LUO-POS-8484f2d3-2
0.590
MIK-ENA-7066949b-1
0.590
MAT-POS-e75f6e44-17
0.589
MAT-POS-38eb6498-2
0.588
ALP-POS-ecbed2ba-12
0.586
BRU-THA-ae0174a8-1
0.586
MAT-POS-566864e2-1
0.586
MAT-POS-566864e2-2
0.586
MAT-POS-e75f6e44-5
0.586
MAT-POS-40ad851a-4
0.585
PET-UNK-aa57768f-2
0.585