Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)N2CCc3ccc(Cl)cc3C2C(=O)Nc2cncc3ccccc23)C1 |
MW: | 481.1 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-487c5e9f-8
0.776
ALP-POS-d054b76b-4
0.773
EDJ-MED-487c5e9f-7
0.755
EDJ-MED-487c5e9f-10
0.755
EDJ-MED-036ae2e9-7
0.707
EDJ-MED-2791eece-6
0.705
EDJ-MED-b774e9fe-2
0.705
EDJ-MED-b774e9fe-3
0.701
EDJ-MED-2791eece-8
0.701
EDJ-MED-036ae2e9-3
0.701
EDJ-MED-2791eece-10
0.684
EDJ-MED-2791eece-11
0.677
EDJ-MED-036ae2e9-12
0.673
EDJ-MED-036ae2e9-9
0.663
EDJ-MED-036ae2e9-10
0.663
EDJ-MED-487c5e9f-9
0.663
EDJ-MED-487c5e9f-2
0.660
EDJ-MED-036ae2e9-11
0.648
EDJ-MED-487c5e9f-5
0.642
EDJ-MED-487c5e9f-11
0.632
EDJ-MED-487c5e9f-12
0.625
EDJ-MED-1981ceba-4
0.623
EDJ-MED-2791eece-1
0.618
ALP-POS-d054b76b-2
0.610
EDJ-MED-487c5e9f-3
0.609
MAT-POS-fb82b63d-3
0.606
EDJ-MED-2791eece-4
0.600
ALP-POS-d054b76b-3
0.594
EDJ-MED-b774e9fe-1
0.594
EDJ-MED-2791eece-2
0.594
EDJ-MED-036ae2e9-1
0.588
EDJ-MED-2791eece-12
0.583
EDJ-MED-036ae2e9-2
0.577
RAL-THA-ee48ba5f-3
0.571
MAT-POS-fb82b63d-4
0.571
EDJ-MED-2791eece-3
0.565
EDJ-MED-036ae2e9-5
0.562
EDJ-MED-2791eece-5
0.561
EDJ-MED-2791eece-7
0.550
PET-UNK-6da3dcd8-7
0.549
EDJ-MED-036ae2e9-6
0.545
EDJ-MED-487c5e9f-4
0.545
EDJ-MED-036ae2e9-4
0.541
EDJ-MED-2791eece-9
0.540
EDJ-MED-487c5e9f-1
0.540
MAT-POS-4223bc15-10
0.540
PET-UNK-6da3dcd8-6
0.534
EDJ-MED-036ae2e9-8
0.531
PET-UNK-6da3dcd8-5
0.530
MAT-POS-dd3ad2b5-4
0.528
MAT-POS-24589f88-2
0.528
MAT-POS-24589f88-3
0.528
EDJ-MED-1981ceba-2
0.527
PET-UNK-d61f3ea6-3
0.522
DAR-DIA-4987d2cd-3
0.518
BRU-THA-98e973b9-1
0.518
MAT-POS-5cd9ea36-24
0.518
PET-UNK-d61f3ea6-1
0.518
ALF-EVA-07677224-2
0.518
MAT-POS-4223bc15-3
0.514
MAT-POS-4223bc15-6
0.514
MAT-POS-4223bc15-1
0.514
BEN-DND-32596b04-7
0.514
JOH-SUS-07b743f6-5
0.513
JOH-SUS-07b743f6-7
0.513
JOH-SUS-07b743f6-3
0.513
MAT-POS-4223bc15-16
0.513
DAR-DIA-4987d2cd-4
0.509
MAT-POS-4223bc15-2
0.509
PET-UNK-d61f3ea6-2
0.509
MAT-POS-5cd9ea36-2
0.509
ALF-EVA-07677224-3
0.509
MAT-POS-dc2604c4-1
0.509
MAT-POS-e194df51-1
0.509
MAT-POS-e194df51-2
0.509
JOH-SUS-07b743f6-4
0.509
JOH-SUS-07b743f6-6
0.509
MAT-POS-5cd9ea36-21
0.508
PET-UNK-162c14b2-1
0.505
MAT-POS-61f37a1a-12
0.505
RAL-THA-ee48ba5f-4
0.505
BRU-THA-d60fe444-1
0.505
EDJ-MED-139368ae-4
0.505
MAT-POS-4223bc15-13
0.505
EDJ-MED-76744c27-3
0.504
EDJ-MED-1981ceba-1
0.504
EDJ-MED-1981ceba-5
0.504
MAT-POS-dc2604c4-4
0.504
EDJ-MED-76744c27-6
0.504
BEN-DND-32596b04-2
0.504
ALF-EVA-07677224-8
0.500
PET-UNK-af70882d-4
0.500
ANN-CHE-e1757302-1
0.500
MAT-POS-5cd9ea36-3
0.500
EDJ-MED-7f6e5b75-1
0.500
ALP-POS-07e1ed01-2
0.500
BEN-DND-32596b04-1
0.500
MAT-POS-4223bc15-11
0.500
PET-UNK-d61f3ea6-4
0.500
MAT-POS-4223bc15-12
0.496