Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1(F)F |
MW: | 516.08 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-e194df51-1
0.808
MAT-POS-e194df51-2
0.808
JOH-SUS-07b743f6-6
0.808
MAT-POS-dc2604c4-1
0.808
MAT-POS-5cd9ea36-9
0.798
JOH-SUS-07b743f6-2
0.794
JOH-SUS-07b743f6-3
0.792
MAT-POS-4223bc15-12
0.784
PET-UNK-615ad708-2
0.778
PET-UNK-615ad708-5
0.778
PET-UNK-ff046148-1
0.778
ALP-POS-07e1ed01-1
0.777
MAT-POS-dc2604c4-3
0.777
MAT-POS-777f5926-4
0.777
MAT-POS-777f5926-3
0.777
MAT-POS-5cd9ea36-24
0.776
ALP-POS-07e1ed01-2
0.769
MAT-POS-5cd9ea36-5
0.769
ALP-POS-395d3f9b-1
0.765
XIA-UNK-c8ef6831-1
0.765
BRU-THA-d60fe444-1
0.763
MAT-POS-dd1fff26-2
0.762
MAT-POS-5cd9ea36-10
0.762
MAT-POS-dd1fff26-1
0.762
MAT-POS-4223bc15-6
0.760
MAT-POS-5cd9ea36-8
0.760
MAT-POS-bf364d7a-12
0.757
MAT-POS-5cd9ea36-7
0.757
MAT-POS-bf364d7a-11
0.757
PET-UNK-94036022-1
0.755
XIA-UNK-284f966f-1
0.755
PET-UNK-94036022-8
0.755
PET-UNK-af70882d-4
0.750
MAT-POS-5cd9ea36-6
0.748
MAT-POS-bf364d7a-9
0.748
MAT-POS-bf364d7a-10
0.748
MAT-POS-4223bc15-5
0.747
MAT-POS-5cd9ea36-11
0.745
MAT-POS-bf364d7a-7
0.740
MAT-POS-bf364d7a-8
0.740
ALF-EVA-07677224-7
0.740
EDJ-MED-76744c27-4
0.740
ALF-EVA-07677224-9
0.740
MAT-POS-dc2604c4-4
0.735
EDJ-MED-76744c27-6
0.735
MAT-POS-bf364d7a-2
0.733
EDJ-MED-4fff0a85-3
0.733
MAT-POS-bf364d7a-1
0.733
MAT-POS-dc2604c4-2
0.726
EDJ-MED-76744c27-3
0.723
PET-UNK-af70882d-1
0.721
MAT-POS-bf364d7a-5
0.721
EDJ-MED-76744c27-1
0.721
MAT-POS-5cd9ea36-1
0.721
MAT-POS-bf364d7a-6
0.721
PET-UNK-de87a406-1
0.718
EDJ-MED-76744c27-5
0.716
PET-UNK-af70882d-3
0.716
EDJ-MED-7f6e5b75-1
0.716
MAT-POS-5cd9ea36-12
0.714
EDJ-MED-4fff0a85-2
0.712
ANN-CHE-e1757302-1
0.712
PET-UNK-af70882d-2
0.709
MAT-POS-bf364d7a-3
0.705
EDJ-MED-4fff0a85-4
0.705
MAT-POS-bf364d7a-4
0.705
ANN-CHE-e1757302-3
0.705
MAT-POS-4223bc15-4
0.695
MAT-POS-4223bc15-14
0.695
ALF-EVA-0e90125c-4
0.695
ANN-CHE-e1757302-2
0.695
MAT-POS-dd3ad2b5-4
0.694
MAT-POS-24589f88-2
0.694
MAT-POS-24589f88-3
0.694
PET-UNK-d61f3ea6-3
0.692
MAT-POS-4223bc15-1
0.690
MAT-POS-4223bc15-3
0.690
ANN-CHE-e1757302-5
0.689
EDJ-MED-76744c27-2
0.682
EDJ-MED-76744c27-7
0.682
ANN-CHE-e1757302-4
0.682
JOH-SUS-07b743f6-7
0.679
BRU-THA-98e973b9-1
0.676
ALF-EVA-07677224-3
0.676
DAR-DIA-5e50e037-1
0.673
BEN-DND-32596b04-7
0.670
MAT-POS-4223bc15-2
0.667
PET-UNK-d61f3ea6-2
0.667
ALF-EVA-0e90125c-6
0.664
EDJ-MED-4fff0a85-1
0.664
MAT-POS-4223bc15-10
0.664
MAT-POS-4223bc15-7
0.663
MAT-POS-4223bc15-15
0.663
MAT-POS-5cd9ea36-17
0.663
EDJ-MED-1981ceba-4
0.660
MAT-POS-4223bc15-13
0.660
ALF-EVA-0e90125c-7
0.658
BEN-DND-32596b04-9
0.657
MAT-POS-5cd9ea36-23
0.657
MAT-POS-5cd9ea36-21
0.655