Molecular Properties | |
SMILES: | N#CC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@](F)(C(=O)Nc3cncc4ccccc34)C2)C1 |
MW: | 499.09 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.4 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-6da3dcd8-17
0.782
PET-UNK-6da3dcd8-6
0.721
PET-UNK-6da3dcd8-2
0.716
PET-UNK-6da3dcd8-5
0.714
PET-UNK-6da3dcd8-4
0.697
PET-UNK-6da3dcd8-10
0.670
EDJ-MED-1981ceba-4
0.587
ALP-POS-d054b76b-4
0.573
PET-UNK-6da3dcd8-16
0.564
PET-UNK-6da3dcd8-15
0.559
EDJ-MED-487c5e9f-6
0.549
MIC-UNK-6e9f8a43-1
0.546
JOH-UNI-e398da21-2
0.546
PET-UNK-6da3dcd8-12
0.546
PET-UNK-6da3dcd8-14
0.536
PET-UNK-9bf1291a-1
0.532
ALP-POS-5290f14d-1
0.532
MIC-UNK-ea4eb352-2
0.532
PET-UNK-6da3dcd8-1
0.532
PET-UNK-6da3dcd8-20
0.521
PET-UNK-407a74a5-7
0.519
PET-UNK-6da3dcd8-3
0.518
EDJ-MED-cf877e1d-2
0.513
PET-UNK-88d26eaf-1
0.513
PET-UNK-757f8bc8-5
0.509
ALP-POS-ecbed2ba-9
0.508
ALP-POS-d054b76b-3
0.504
PET-UNK-ad758083-1
0.504
RAL-THA-ee48ba5f-3
0.500
ALP-POS-c56c1477-4
0.500
MAT-POS-89bd6af1-1
0.500
EDJ-MED-139368ae-4
0.500
PET-UNK-d61f3ea6-4
0.496
PET-UNK-bcc8fd08-4
0.496
PET-UNK-9bf1291a-5
0.496
PET-UNK-757f8bc8-9
0.492
PET-UNK-757f8bc8-1
0.492
PET-UNK-6da3dcd8-9
0.492
EDJ-MED-b1cef252-2
0.488
PET-UNK-6da3dcd8-8
0.488
MAT-POS-83a7b0a0-2
0.488
MAT-POS-89bd6af1-2
0.488
PET-UNK-0d6841fa-1
0.487
PET-UNK-757f8bc8-3
0.487
PET-UNK-757f8bc8-8
0.487
PET-UNK-407a74a5-6
0.486
PET-UNK-757f8bc8-11
0.483
PET-UNK-757f8bc8-4
0.483
MAT-POS-4223bc15-10
0.483
PET-UNK-757f8bc8-12
0.483
ALP-POS-d054b76b-5
0.483
JOH-SUS-07b743f6-1
0.479
EDJ-MED-e9a22d5d-2
0.479
PET-UNK-757f8bc8-7
0.479
ALF-EVA-07677224-3
0.479
PET-UNK-407a74a5-5
0.477
PET-UNK-407a74a5-8
0.477
PET-UNK-ad758083-2
0.475
BEN-DND-32596b04-8
0.475
MAT-POS-5cd9ea36-24
0.474
BRU-THA-98e973b9-1
0.474
BRU-THA-d60fe444-1
0.474
ALP-POS-d054b76b-2
0.473
PET-UNK-757f8bc8-2
0.471
BEN-DND-32596b04-7
0.470
EDJ-MED-1981ceba-2
0.470
MAT-POS-24589f88-2
0.468
MAT-POS-24589f88-3
0.468
MAT-POS-dd3ad2b5-4
0.468
PET-UNK-0d6841fa-2
0.467
JOH-SUS-07b743f6-6
0.467
EDJ-MED-82bd779b-1
0.467
PET-UNK-757f8bc8-6
0.467
MAT-POS-4223bc15-2
0.465
MAT-UNK-28cf4d29-1
0.464
MAT-POS-89bd6af1-3
0.464
PET-UNK-9bf1291a-3
0.464
ALP-POS-e266d783-2
0.464
PET-UNK-757f8bc8-10
0.463
JOH-SUS-07b743f6-2
0.463
MAT-POS-dc2604c4-4
0.462
EDJ-MED-76744c27-6
0.462
PET-UNK-d61f3ea6-1
0.462
MAT-POS-5cd9ea36-9
0.458
MAT-POS-5cd9ea36-11
0.458
JOH-SUS-07b743f6-5
0.458
JOH-SUS-07b743f6-7
0.458
MAT-POS-4223bc15-3
0.456
MAT-POS-4223bc15-6
0.456
MAT-POS-4223bc15-1
0.456
MAT-POS-dc2604c4-1
0.455
DAR-DIA-5e50e037-1
0.455
MAT-POS-e194df51-1
0.455
MAT-POS-e194df51-2
0.455
JOH-SUS-07b743f6-4
0.455
PET-UNK-d61f3ea6-3
0.454
MAT-POS-4223bc15-7
0.453
MAT-POS-5cd9ea36-2
0.453
EDJ-MED-036ae2e9-7
0.453
MAT-POS-5cd9ea36-17
0.453