Molecular Properties | |
SMILES: | Cn1cnc(S(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)c1 |
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-dd3ad2b5-4
XIA-UNK-50bd045a-1
0.780
MAT-POS-4223bc15-31
0.772
ALF-EVA-0e90125c-8
0.745
ALF-EVA-07677224-5
0.721
MAT-POS-24589f88-3
0.719
MAT-POS-dd3ad2b5-4
0.719
MAT-POS-24589f88-2
0.719
MAT-POS-4223bc15-30
0.702
XIA-UNK-d96e3d51-1
0.697
MAT-POS-4223bc15-1
0.697
MAT-POS-4223bc15-6
0.697
ALF-EVA-07677224-1
0.695
EDJ-MED-1981ceba-2
0.693
ALF-EVA-07677224-2
0.692
MAT-POS-4223bc15-2
0.690
PET-UNK-d61f3ea6-2
0.690
ALF-EVA-07677224-6
0.686
ALF-EVA-0e90125c-5
0.686
MAT-POS-4223bc15-3
0.680
MAT-POS-5cd9ea36-4
0.680
BEN-DND-32596b04-2
0.676
EDJ-MED-1981ceba-5
0.676
PET-UNK-af70882d-3
0.673
PET-UNK-af70882d-4
0.673
ALF-EVA-07677224-10
0.673
MAT-POS-5cd9ea36-17
0.670
BRU-THA-98e973b9-1
0.667
BRU-THA-d60fe444-1
0.667
MAT-POS-4223bc15-13
0.667
PET-UNK-d61f3ea6-3
0.667
MAT-POS-5cd9ea36-16
0.667
BEN-DND-32596b04-9
0.664
MAT-POS-5cd9ea36-24
0.663
PET-UNK-d61f3ea6-1
0.663
MAT-POS-4223bc15-29
0.663
EDJ-MED-1981ceba-1
0.660
BEN-DND-32596b04-7
0.660
EDJ-MED-7f6e5b75-1
0.657
EDJ-MED-76744c27-5
0.657
MAT-POS-5cd9ea36-3
0.657
MAT-POS-5cd9ea36-19
0.657
MAT-POS-5cd9ea36-20
0.657
MAT-POS-4223bc15-4
0.654
BEN-DND-32596b04-1
0.654
ALF-EVA-0e90125c-4
0.654
MAT-POS-4223bc15-15
0.654
MAT-POS-4223bc15-5
0.654
MAT-POS-4223bc15-7
0.654
MAT-POS-5cd9ea36-2
0.654
BEN-DND-32596b04-6
0.651
PET-UNK-af70882d-2
0.651
MAT-POS-4223bc15-19
0.650
RAL-THA-6e4c80cf-1
0.650
ALF-EVA-07677224-4
0.648
EDJ-MED-76744c27-3
0.648
BEN-DND-f2e727cd-6
0.646
MAT-POS-dd3ad2b5-1
0.646
PET-UNK-de87a406-1
0.645
EDJ-MED-1981ceba-3
0.645
BEN-DND-32596b04-8
0.645
MAT-POS-4223bc15-9
0.642
MAT-POS-61f37a1a-2
0.642
MAT-POS-dd1fff26-1
0.639
MAT-POS-dd1fff26-2
0.639
MAT-POS-4223bc15-11
0.639
JOH-SUS-07b743f6-7
0.639
MAT-POS-4223bc15-8
0.639
BEN-DND-32596b04-5
0.639
ANN-CHE-e1757302-1
0.639
ANN-CHE-e1757302-2
0.639
EDJ-MED-4fff0a85-2
0.639
MAT-POS-5cd9ea36-10
0.639
MAT-POS-5cd9ea36-11
0.639
PET-UNK-d61f3ea6-4
0.636
ALF-EVA-07677224-3
0.636
PET-UNK-615ad708-2
0.636
EDJ-MED-1981ceba-4
0.636
PET-UNK-615ad708-5
0.636
PET-UNK-ff046148-1
0.636
JOH-SUS-07b743f6-4
0.633
MAT-POS-bf364d7a-3
0.633
MAT-POS-bf364d7a-4
0.633
MAT-POS-bf364d7a-6
0.633
PET-UNK-af70882d-1
0.633
MAT-POS-bf364d7a-5
0.633
MAT-POS-5cd9ea36-1
0.633
EDJ-MED-76744c27-1
0.633
ANN-CHE-e1757302-3
0.633
EDJ-MED-4fff0a85-4
0.633
MAT-POS-5cd9ea36-23
0.633
MAT-POS-dc2604c4-4
0.630
EDJ-MED-76744c27-6
0.630
XIA-UNK-c8ef6831-1
0.627
ALP-POS-395d3f9b-1
0.627
EDJ-MED-76744c27-2
0.627
EDJ-MED-76744c27-7
0.627
ANN-CHE-e1757302-4
0.627
MAT-POS-5cd9ea36-18
0.627
MAT-POS-5cd9ea36-22
0.625
RAL-THA-ee48ba5f-5
0.625