Molecular Properties | |
SMILES: | CCS(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 429.09 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-036ae2e9-10
0.828
EDJ-MED-036ae2e9-9
0.828
EDJ-MED-036ae2e9-7
0.818
EDJ-MED-036ae2e9-11
0.802
EDJ-MED-b774e9fe-2
0.800
EDJ-MED-2791eece-6
0.800
EDJ-MED-036ae2e9-12
0.774
EDJ-MED-2791eece-8
0.773
EDJ-MED-b774e9fe-3
0.773
EDJ-MED-487c5e9f-3
0.768
EDJ-MED-2791eece-11
0.764
EDJ-MED-2791eece-10
0.753
EDJ-MED-487c5e9f-10
0.734
EDJ-MED-487c5e9f-9
0.728
EDJ-MED-487c5e9f-8
0.719
EDJ-MED-487c5e9f-7
0.716
EDJ-MED-487c5e9f-12
0.713
EDJ-MED-487c5e9f-2
0.704
EDJ-MED-487c5e9f-5
0.701
EDJ-MED-487c5e9f-6
0.701
EDJ-MED-487c5e9f-11
0.691
MAT-POS-fb82b63d-3
0.685
EDJ-MED-b774e9fe-1
0.670
EDJ-MED-2791eece-2
0.670
ALP-POS-d054b76b-2
0.670
EDJ-MED-2791eece-12
0.656
EDJ-MED-036ae2e9-2
0.649
EDJ-MED-2791eece-5
0.646
EDJ-MED-036ae2e9-1
0.645
MAT-POS-fb82b63d-4
0.642
EDJ-MED-2791eece-1
0.642
EDJ-MED-2791eece-3
0.633
EDJ-MED-2791eece-7
0.633
EDJ-MED-036ae2e9-6
0.626
EDJ-MED-487c5e9f-4
0.624
EDJ-MED-2791eece-4
0.622
EDJ-MED-2791eece-9
0.602
ALP-POS-d054b76b-4
0.598
EDJ-MED-036ae2e9-5
0.596
EDJ-MED-036ae2e9-8
0.592
MAT-POS-4223bc15-6
0.592
EDJ-MED-036ae2e9-4
0.588
EDJ-MED-487c5e9f-1
0.587
MAT-POS-24589f88-3
0.561
MAT-POS-dd3ad2b5-4
0.561
MAT-POS-24589f88-2
0.561
MAT-POS-5cd9ea36-17
0.553
BRU-THA-d60fe444-1
0.549
EDJ-MED-76744c27-3
0.548
MAT-POS-4223bc15-1
0.545
EDJ-MED-76744c27-5
0.543
EDJ-MED-7f6e5b75-1
0.543
PET-UNK-af70882d-3
0.543
PET-UNK-af70882d-4
0.543
EDJ-MED-4fff0a85-2
0.542
MAT-POS-fb82b63d-1
0.542
MIC-UNK-91acba05-4
0.542
ALP-POS-477dc5b7-1
0.542
RAL-THA-ee48ba5f-5
0.539
MAT-POS-4223bc15-2
0.539
DAR-DIA-4987d2cd-4
0.539
PET-UNK-d61f3ea6-2
0.539
MAT-POS-4223bc15-5
0.538
MAT-POS-5cd9ea36-16
0.538
PET-UNK-af70882d-2
0.538
DAR-DIA-4987d2cd-3
0.534
MAT-POS-5cd9ea36-24
0.533
PET-UNK-de87a406-1
0.533
MAT-POS-4223bc15-3
0.529
EDJ-MED-1981ceba-2
0.529
MAT-POS-dd1fff26-1
0.528
MAT-POS-dd1fff26-2
0.528
ANN-CHE-e1757302-1
0.528
ANN-CHE-e1757302-2
0.528
MAT-POS-5cd9ea36-9
0.528
MAT-POS-5cd9ea36-10
0.528
MAT-POS-4223bc15-4
0.528
ALF-EVA-0e90125c-4
0.528
JOH-SUS-07b743f6-3
0.527
PET-UNK-615ad708-5
0.523
PET-UNK-615ad708-2
0.523
PET-UNK-ff046148-1
0.523
PET-UNK-d61f3ea6-3
0.523
MAT-POS-bf364d7a-5
0.523
MAT-POS-bf364d7a-6
0.523
ANN-CHE-e1757302-5
0.523
ANN-CHE-e1757302-3
0.523
XIA-UNK-284f966f-1
0.523
EDJ-MED-76744c27-1
0.523
MAT-POS-e194df51-1
0.523
MAT-POS-e194df51-2
0.523
MAT-POS-5cd9ea36-1
0.523
MAT-POS-dc2604c4-1
0.523
PET-UNK-af70882d-1
0.523
PET-UNK-94036022-1
0.523
PET-UNK-94036022-8
0.523
BRU-THA-98e973b9-1
0.519
MAT-POS-4223bc15-13
0.519
RAL-THA-ee48ba5f-4
0.519
MAT-POS-5cd9ea36-4
0.519