Molecular Properties | |
SMILES: | COCS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 445.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-4223bc15-6
0.841
BRU-THA-d60fe444-1
0.822
MAT-POS-4223bc15-4
0.819
PET-UNK-615ad708-2
0.798
PET-UNK-615ad708-5
0.798
PET-UNK-ff046148-1
0.798
MAT-POS-bf364d7a-7
0.794
MAT-POS-bf364d7a-8
0.794
ALF-EVA-07677224-7
0.794
EDJ-MED-76744c27-4
0.794
EDJ-MED-76744c27-5
0.787
PET-UNK-af70882d-3
0.787
EDJ-MED-7f6e5b75-1
0.787
MAT-POS-4223bc15-5
0.785
EDJ-MED-76744c27-2
0.784
EDJ-MED-76744c27-7
0.784
MAT-POS-dd1fff26-2
0.781
MAT-POS-5cd9ea36-10
0.781
MAT-POS-dd1fff26-1
0.781
MAT-POS-dc2604c4-2
0.778
MAT-POS-5cd9ea36-24
0.777
EDJ-MED-76744c27-3
0.777
PET-UNK-de87a406-1
0.771
MAT-POS-dd3ad2b5-4
0.767
MAT-POS-24589f88-2
0.767
MAT-POS-24589f88-3
0.767
ALF-EVA-0e90125c-4
0.763
EDJ-MED-4fff0a85-2
0.763
MAT-POS-5cd9ea36-9
0.763
ANN-CHE-e1757302-1
0.763
ANN-CHE-e1757302-2
0.763
PET-UNK-af70882d-2
0.760
ALF-EVA-07677224-9
0.758
MAT-POS-dc2604c4-1
0.755
PET-UNK-af70882d-1
0.755
MAT-POS-bf364d7a-5
0.755
EDJ-MED-76744c27-1
0.755
MAT-POS-5cd9ea36-1
0.755
MAT-POS-e194df51-1
0.755
MAT-POS-e194df51-2
0.755
JOH-SUS-07b743f6-6
0.755
MAT-POS-bf364d7a-6
0.755
PET-UNK-94036022-1
0.755
XIA-UNK-284f966f-1
0.755
PET-UNK-94036022-8
0.755
ANN-CHE-e1757302-3
0.755
MAT-POS-dc2604c4-4
0.753
EDJ-MED-76744c27-6
0.753
MAT-POS-bf364d7a-2
0.750
EDJ-MED-4fff0a85-3
0.750
JOH-SUS-07b743f6-1
0.750
MAT-POS-bf364d7a-1
0.750
ALP-POS-395d3f9b-1
0.747
XIA-UNK-c8ef6831-1
0.747
MAT-POS-4223bc15-14
0.745
MAT-POS-5cd9ea36-11
0.745
MAT-POS-4223bc15-1
0.742
MAT-POS-4223bc15-3
0.742
JOH-SUS-07b743f6-3
0.740
MAT-POS-bf364d7a-3
0.737
EDJ-MED-4fff0a85-4
0.737
MAT-POS-bf364d7a-4
0.737
ANN-CHE-e1757302-5
0.737
ALP-POS-07e1ed01-2
0.735
MAT-POS-4223bc15-2
0.734
PET-UNK-d61f3ea6-2
0.734
MAT-POS-4223bc15-12
0.733
MAT-POS-5cd9ea36-12
0.730
ANN-CHE-e1757302-4
0.730
MAT-POS-5cd9ea36-17
0.729
ALP-POS-07e1ed01-1
0.725
MAT-POS-dc2604c4-3
0.725
MAT-POS-777f5926-4
0.725
MAT-POS-5cd9ea36-8
0.725
JOH-SUS-07b743f6-2
0.725
MAT-POS-777f5926-3
0.725
MAT-POS-5cd9ea36-22
0.725
MAT-POS-5cd9ea36-16
0.724
BEN-DND-32596b04-7
0.719
MAT-POS-5cd9ea36-5
0.718
EDJ-MED-1981ceba-3
0.717
MAT-POS-4223bc15-7
0.711
MAT-POS-4223bc15-15
0.711
ALF-EVA-0e90125c-6
0.709
EDJ-MED-4fff0a85-1
0.709
MAT-POS-4223bc15-13
0.708
BRU-THA-98e973b9-1
0.708
PET-UNK-d61f3ea6-3
0.707
MAT-POS-4223bc15-29
0.704
MAT-POS-5cd9ea36-4
0.704
MAT-POS-5cd9ea36-23
0.703
ALF-EVA-0e90125c-7
0.702
EDJ-MED-1981ceba-2
0.701
MAT-POS-af1eef35-2
0.699
MAT-POS-51135489-1
0.699
EDJ-MED-e18764cb-3
0.699
MAT-POS-5cd9ea36-6
0.698
MAT-POS-bf364d7a-9
0.698
MAT-POS-bf364d7a-10
0.698
MAT-POS-5cd9ea36-19
0.697