Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)COC1 |
MW: | 496.1 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 112.39 |
cLogP: | 3.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-e194df51-1
0.894
MAT-POS-e194df51-2
0.894
MAT-POS-dc2604c4-1
0.894
MAT-POS-4223bc15-12
0.866
MAT-POS-5cd9ea36-6
0.860
MAT-POS-bf364d7a-9
0.860
MAT-POS-bf364d7a-10
0.860
MAT-POS-777f5926-4
0.857
MAT-POS-777f5926-3
0.857
MAT-POS-dc2604c4-3
0.857
ALP-POS-07e1ed01-1
0.857
MAT-POS-5cd9ea36-5
0.848
ALP-POS-07e1ed01-2
0.848
JOH-SUS-07b743f6-6
0.835
PET-UNK-94036022-1
0.816
XIA-UNK-284f966f-1
0.816
PET-UNK-94036022-8
0.816
MAT-POS-5cd9ea36-7
0.816
MAT-POS-bf364d7a-12
0.816
MAT-POS-bf364d7a-11
0.816
JOH-SUS-07b743f6-1
0.792
PET-UNK-615ad708-2
0.786
PET-UNK-ff046148-1
0.786
PET-UNK-615ad708-5
0.786
JOH-SUS-07b743f6-2
0.784
MAT-POS-5cd9ea36-9
0.770
MAT-POS-5cd9ea36-10
0.770
MAT-POS-dd1fff26-1
0.770
MAT-POS-dd1fff26-2
0.770
MAT-POS-4223bc15-6
0.768
MAT-POS-5cd9ea36-8
0.767
MAT-POS-5cd9ea36-24
0.765
ALP-POS-395d3f9b-1
0.755
XIA-UNK-c8ef6831-1
0.755
BRU-THA-d60fe444-1
0.753
MAT-POS-dc2604c4-2
0.750
ALF-EVA-07677224-9
0.748
MAT-POS-bf364d7a-7
0.748
MAT-POS-bf364d7a-8
0.748
ALF-EVA-07677224-7
0.748
EDJ-MED-76744c27-4
0.748
MAT-POS-dc2604c4-4
0.743
EDJ-MED-76744c27-6
0.743
EDJ-MED-4fff0a85-3
0.740
MAT-POS-bf364d7a-1
0.740
MAT-POS-bf364d7a-2
0.740
PET-UNK-af70882d-4
0.740
EDJ-MED-76744c27-5
0.740
MAT-POS-4223bc15-5
0.737
EDJ-MED-7889e8da-4
0.733
PET-UNK-af70882d-2
0.733
EDJ-MED-be9e6f63-4
0.733
EDJ-MED-76744c27-3
0.730
EDJ-MED-76744c27-1
0.728
MAT-POS-5cd9ea36-1
0.728
MAT-POS-bf364d7a-6
0.728
MAT-POS-bf364d7a-5
0.728
PET-UNK-af70882d-1
0.728
EDJ-MED-7f6e5b75-1
0.723
PET-UNK-af70882d-3
0.723
ANN-CHE-e1757302-4
0.721
EDJ-MED-4fff0a85-2
0.718
MAT-POS-5cd9ea36-11
0.718
PET-UNK-d61f3ea6-3
0.716
MAT-POS-bf364d7a-3
0.712
MAT-POS-bf364d7a-4
0.712
EDJ-MED-4fff0a85-4
0.712
BRU-THA-4b053743-1
0.709
ALP-POS-c56c1477-1
0.709
PET-UNK-de87a406-1
0.709
EDJ-MED-7889e8da-2
0.708
EDJ-MED-be9e6f63-2
0.708
PET-UNK-d61f3ea6-2
0.707
MAT-POS-5cd9ea36-12
0.705
JOH-SUS-07b743f6-7
0.702
ANN-CHE-e1757302-1
0.702
ANN-CHE-e1757302-2
0.702
MAT-POS-4223bc15-4
0.702
MAT-POS-4223bc15-14
0.702
ALF-EVA-0e90125c-4
0.702
MAT-POS-dd3ad2b5-4
0.701
MAT-POS-24589f88-3
0.701
MAT-POS-24589f88-2
0.701
EDJ-MED-4fff0a85-1
0.701
ALF-EVA-07677224-3
0.699
MAT-POS-81ae2990-9
0.698
MAT-POS-b4d6b7fc-9
0.698
ANN-CHE-e1757302-5
0.695
ANN-CHE-e1757302-3
0.695
EDJ-MED-76744c27-2
0.689
EDJ-MED-76744c27-7
0.689
EDJ-MED-be9e6f63-3
0.688
MAT-POS-c7726e07-8
0.688
EDJ-MED-378a25ea-25
0.688
ALP-POS-6f6ae286-4
0.688
MAT-POS-c7726e07-7
0.688
MAT-POS-4223bc15-7
0.686
EDJ-MED-7889e8da-6
0.685
EDJ-MED-378a25ea-9
0.685
ALF-EVA-0e90125c-6
0.685