Molecular Properties | |
SMILES: | COCCS(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 459.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-036ae2e9-9
0.815
EDJ-MED-036ae2e9-3
0.802
EDJ-MED-036ae2e9-10
0.777
EDJ-MED-036ae2e9-7
0.750
EDJ-MED-2791eece-6
0.731
EDJ-MED-b774e9fe-2
0.731
EDJ-MED-487c5e9f-3
0.725
EDJ-MED-036ae2e9-12
0.713
EDJ-MED-b774e9fe-3
0.708
EDJ-MED-2791eece-8
0.708
EDJ-MED-2791eece-11
0.701
EDJ-MED-487c5e9f-8
0.696
EDJ-MED-2791eece-10
0.691
EDJ-MED-487c5e9f-10
0.676
EDJ-MED-487c5e9f-9
0.670
EDJ-MED-2791eece-3
0.663
EDJ-MED-487c5e9f-12
0.661
EDJ-MED-487c5e9f-7
0.660
EDJ-MED-487c5e9f-2
0.651
EDJ-MED-487c5e9f-5
0.648
EDJ-MED-487c5e9f-6
0.648
MAT-POS-fb82b63d-3
0.646
EDJ-MED-487c5e9f-11
0.638
MAT-POS-4223bc15-4
0.617
EDJ-MED-b774e9fe-1
0.616
EDJ-MED-2791eece-2
0.616
ALP-POS-d054b76b-2
0.616
EDJ-MED-2791eece-12
0.604
EDJ-MED-036ae2e9-2
0.598
EDJ-MED-2791eece-5
0.596
EDJ-MED-036ae2e9-1
0.594
MAT-POS-fb82b63d-4
0.592
EDJ-MED-2791eece-1
0.592
EDJ-MED-2791eece-7
0.585
EDJ-MED-036ae2e9-6
0.579
EDJ-MED-2791eece-4
0.575
EDJ-MED-036ae2e9-5
0.568
EDJ-MED-487c5e9f-4
0.564
EDJ-MED-036ae2e9-4
0.560
EDJ-MED-2791eece-9
0.559
EDJ-MED-036ae2e9-8
0.550
PET-UNK-af70882d-4
0.545
EDJ-MED-487c5e9f-1
0.545
ALP-POS-d054b76b-4
0.541
MAT-POS-5cd9ea36-22
0.534
MAT-POS-4223bc15-6
0.533
MAT-POS-4223bc15-28
0.527
PET-UNK-757f8bc8-7
0.527
PET-UNK-757f8bc8-3
0.522
MAT-POS-dd3ad2b5-4
0.519
MAT-POS-24589f88-2
0.519
MAT-POS-24589f88-3
0.519
MAT-POS-4223bc15-5
0.514
BRU-THA-d60fe444-1
0.509
EDJ-MED-76744c27-3
0.509
EDJ-MED-76744c27-2
0.509
EDJ-MED-76744c27-7
0.509
RAL-THA-6e4c80cf-1
0.505
MAT-POS-4223bc15-19
0.505
MAT-POS-4223bc15-1
0.505
MAT-POS-4223bc15-22
0.505
PET-UNK-af70882d-3
0.504
EDJ-MED-76744c27-5
0.504
EDJ-MED-7f6e5b75-1
0.504
EDJ-MED-4fff0a85-2
0.504
ALF-EVA-0e90125c-4
0.504
PET-UNK-757f8bc8-11
0.504
MAT-POS-bf364d7a-7
0.504
MAT-POS-bf364d7a-8
0.504
ALF-EVA-07677224-7
0.504
EDJ-MED-76744c27-4
0.504
MAT-POS-fb82b63d-1
0.500
MAT-POS-dd3ad2b5-1
0.500
DAR-DIA-4987d2cd-4
0.500
MAT-POS-4223bc15-2
0.500
MAT-POS-dc2604c4-1
0.500
RAL-THA-ee48ba5f-5
0.500
PET-UNK-d61f3ea6-2
0.500
MAT-POS-5cd9ea36-16
0.500
MAT-POS-e194df51-1
0.500
MAT-POS-e194df51-2
0.500
MIC-UNK-91acba05-4
0.500
ALP-POS-477dc5b7-1
0.500
MAT-POS-5cd9ea36-17
0.500
BEN-DND-f2e727cd-6
0.500
PET-UNK-af70882d-2
0.500
MAT-POS-dc2604c4-2
0.496
EDJ-MED-1981ceba-3
0.496
MAT-POS-dc2604c4-4
0.496
EDJ-MED-76744c27-6
0.496
PET-UNK-de87a406-1
0.496
MAT-POS-5cd9ea36-24
0.496
DAR-DIA-4987d2cd-3
0.495
JOH-SUS-07b743f6-3
0.492
VLA-UNK-5b0345c3-3
0.492
ANN-CHE-e1757302-1
0.491
ANN-CHE-e1757302-2
0.491
MAT-POS-5cd9ea36-9
0.491
MAT-POS-5cd9ea36-10
0.491
MAT-POS-dd1fff26-1
0.491