Molecular Properties | |
SMILES: | N#CCCS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 454.09 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-05-04 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-4223bc15-12
EDJ-MED-76744c27-6
1.000
MAT-POS-4223bc15-5
0.826
MAT-POS-5cd9ea36-24
0.817
MAT-POS-4223bc15-6
0.802
BRU-THA-d60fe444-1
0.785
MAT-POS-4223bc15-4
0.784
ALF-EVA-0e90125c-4
0.784
JOH-SUS-07b743f6-6
0.776
MAT-POS-5cd9ea36-8
0.762
EDJ-MED-76744c27-3
0.760
MAT-POS-dc2604c4-1
0.758
MAT-POS-bf364d7a-6
0.758
MAT-POS-bf364d7a-5
0.758
PET-UNK-af70882d-1
0.758
EDJ-MED-76744c27-1
0.758
MAT-POS-5cd9ea36-1
0.758
MAT-POS-e194df51-1
0.758
MAT-POS-e194df51-2
0.758
EDJ-MED-7f6e5b75-1
0.753
PET-UNK-af70882d-4
0.753
EDJ-MED-76744c27-5
0.753
PET-UNK-af70882d-3
0.753
PET-UNK-af70882d-2
0.745
PET-UNK-615ad708-2
0.745
PET-UNK-ff046148-1
0.745
PET-UNK-615ad708-5
0.745
JOH-SUS-07b743f6-3
0.743
MAT-POS-bf364d7a-4
0.740
EDJ-MED-4fff0a85-4
0.740
MAT-POS-bf364d7a-3
0.740
PET-UNK-de87a406-1
0.737
MAT-POS-4223bc15-12
0.735
MAT-POS-5cd9ea36-21
0.735
JOH-SUS-07b743f6-1
0.735
EDJ-MED-76744c27-2
0.733
EDJ-MED-76744c27-7
0.733
XIA-UNK-c8ef6831-1
0.733
MAT-POS-24589f88-3
0.731
MAT-POS-24589f88-2
0.731
MAT-POS-dd3ad2b5-4
0.731
MAT-POS-4223bc15-14
0.730
MAT-POS-dd1fff26-2
0.730
EDJ-MED-4fff0a85-2
0.730
MAT-POS-5cd9ea36-9
0.730
MAT-POS-5cd9ea36-10
0.730
MAT-POS-dd1fff26-1
0.730
ANN-CHE-e1757302-1
0.730
ANN-CHE-e1757302-2
0.730
MAT-POS-5cd9ea36-11
0.730
MAT-POS-dc2604c4-3
0.728
ALP-POS-07e1ed01-1
0.728
MAT-POS-777f5926-4
0.728
JOH-SUS-07b743f6-2
0.728
MAT-POS-777f5926-3
0.728
XIA-UNK-284f966f-1
0.723
PET-UNK-94036022-8
0.723
ANN-CHE-e1757302-5
0.723
ANN-CHE-e1757302-3
0.723
PET-UNK-94036022-1
0.723
MAT-POS-5cd9ea36-5
0.721
ALP-POS-07e1ed01-2
0.721
MAT-POS-5cd9ea36-12
0.716
ALP-POS-395d3f9b-1
0.716
ANN-CHE-e1757302-4
0.716
ALF-EVA-07677224-7
0.709
EDJ-MED-76744c27-4
0.709
ALF-EVA-07677224-9
0.709
MAT-POS-bf364d7a-7
0.709
MAT-POS-bf364d7a-8
0.709
MAT-POS-4223bc15-1
0.708
MAT-POS-4223bc15-3
0.708
MAT-POS-bf364d7a-2
0.702
EDJ-MED-4fff0a85-3
0.702
MAT-POS-bf364d7a-1
0.702
PET-UNK-d61f3ea6-2
0.701
MAT-POS-4223bc15-2
0.701
MAT-POS-bf364d7a-9
0.701
MAT-POS-bf364d7a-10
0.701
MAT-POS-5cd9ea36-6
0.701
MAT-POS-5cd9ea36-18
0.699
MAT-POS-5cd9ea36-17
0.697
MAT-POS-dc2604c4-2
0.695
ALF-EVA-0e90125c-6
0.695
EDJ-MED-4fff0a85-1
0.695
MAT-POS-bf364d7a-11
0.694
MAT-POS-5cd9ea36-7
0.694
MAT-POS-bf364d7a-12
0.694
MAT-POS-4223bc15-13
0.694
BRU-THA-98e973b9-1
0.694
ALF-EVA-07677224-3
0.693
EDJ-MED-1981ceba-4
0.693
PET-UNK-d61f3ea6-3
0.693
MAT-POS-5cd9ea36-16
0.693
MAT-POS-5cd9ea36-4
0.690
ALF-EVA-0e90125c-7
0.689
BEN-DND-32596b04-7
0.687
EDJ-MED-1981ceba-2
0.687
PET-UNK-162c14b2-1
0.680
MAT-POS-61f37a1a-12
0.680
MAT-POS-5cd9ea36-2
0.680