Molecular Properties | |
SMILES: | Cn1ccc(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)n1 |
MW: | 481.1 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 97.19 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-4223bc15-31
0.788
ALF-EVA-07677224-8
0.780
XIA-UNK-d96e3d51-1
0.777
MAT-POS-dd3ad2b5-4
0.753
MAT-POS-24589f88-2
0.753
MAT-POS-24589f88-3
0.753
ALF-EVA-0e90125c-8
0.743
ALF-EVA-07677224-5
0.735
ALF-EVA-07677224-1
0.725
EDJ-MED-1981ceba-2
0.724
MAT-POS-4223bc15-1
0.711
MAT-POS-4223bc15-6
0.711
ALF-EVA-07677224-2
0.706
BEN-DND-32596b04-2
0.706
EDJ-MED-1981ceba-5
0.706
MAT-POS-4223bc15-2
0.704
PET-UNK-d61f3ea6-2
0.704
ALF-EVA-07677224-6
0.699
ALF-EVA-0e90125c-5
0.699
MAT-POS-4223bc15-30
0.699
MAT-POS-4223bc15-3
0.694
MAT-POS-5cd9ea36-4
0.693
MAT-POS-5cd9ea36-24
0.693
PET-UNK-d61f3ea6-1
0.693
BEN-DND-32596b04-7
0.690
PET-UNK-af70882d-3
0.686
ALF-EVA-07677224-10
0.686
MAT-POS-5cd9ea36-17
0.683
BRU-THA-98e973b9-1
0.680
BRU-THA-d60fe444-1
0.680
MAT-POS-4223bc15-13
0.680
MAT-POS-5cd9ea36-16
0.680
EDJ-MED-1981ceba-4
0.680
EDJ-MED-76744c27-3
0.676
MAT-POS-4223bc15-29
0.676
BEN-DND-32596b04-8
0.673
EDJ-MED-1981ceba-3
0.673
EDJ-MED-1981ceba-1
0.673
RAL-THA-ee48ba5f-5
0.670
PET-UNK-af70882d-4
0.670
EDJ-MED-76744c27-5
0.670
MAT-POS-5cd9ea36-20
0.670
EDJ-MED-7f6e5b75-1
0.670
MAT-POS-5cd9ea36-19
0.670
ALF-EVA-0e90125c-4
0.667
BEN-DND-32596b04-1
0.667
EDJ-MED-4fff0a85-2
0.667
MAT-POS-5cd9ea36-2
0.667
MAT-POS-5cd9ea36-10
0.667
MAT-POS-4223bc15-7
0.667
MAT-POS-4223bc15-15
0.667
MAT-POS-4223bc15-11
0.667
ANN-CHE-e1757302-1
0.667
MAT-POS-dd1fff26-1
0.667
MAT-POS-dd1fff26-2
0.667
MAT-POS-4223bc15-5
0.667
BEN-DND-32596b04-6
0.664
PET-UNK-af70882d-2
0.663
PET-UNK-d61f3ea6-3
0.663
BEN-DND-32596b04-9
0.660
ANN-CHE-e1757302-5
0.660
MAT-POS-dd3ad2b5-1
0.660
BEN-DND-f2e727cd-6
0.660
PET-UNK-de87a406-1
0.657
MAT-POS-5cd9ea36-3
0.654
MAT-POS-4223bc15-9
0.654
MAT-POS-61f37a1a-2
0.654
MAT-POS-5cd9ea36-11
0.651
BEN-DND-32596b04-5
0.651
MAT-POS-4223bc15-10
0.651
ANN-CHE-e1757302-2
0.651
MAT-POS-4223bc15-4
0.651
MAT-POS-4223bc15-14
0.651
PET-UNK-d61f3ea6-4
0.648
PET-UNK-ff046148-1
0.648
PET-UNK-615ad708-5
0.648
PET-UNK-615ad708-2
0.648
ALF-EVA-07677224-3
0.648
RAL-THA-6e4c80cf-1
0.646
MAT-POS-4223bc15-19
0.646
ALF-EVA-07677224-4
0.645
PET-UNK-af70882d-1
0.645
MAT-POS-bf364d7a-5
0.645
EDJ-MED-76744c27-1
0.645
MAT-POS-5cd9ea36-23
0.645
MAT-POS-bf364d7a-3
0.645
MAT-POS-bf364d7a-4
0.645
MAT-POS-bf364d7a-6
0.645
ANN-CHE-e1757302-3
0.645
EDJ-MED-4fff0a85-4
0.645
MAT-POS-5cd9ea36-1
0.645
RAL-THA-ee48ba5f-1
0.644
EDJ-MED-fa7708b3-1
0.644
EDJ-MED-76744c27-6
0.642
MAT-POS-dc2604c4-4
0.642
EDJ-MED-76744c27-2
0.639
EDJ-MED-76744c27-7
0.639
MAT-POS-5cd9ea36-18
0.639
ALP-POS-395d3f9b-1
0.639
XIA-UNK-c8ef6831-1
0.639