Molecular Properties | |
SMILES: | C#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@@]3(CC(=O)N(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 519.1 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 87.65 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
triple bond
Hetero_hetero
triple_bond
PET-UNK-94036022-4
1.000
LUO-POS-868e8996-9
0.875
LUO-POS-868e8996-10
0.875
MAT-POS-1bed62cf-1
0.875
PET-UNK-94036022-5
0.814
PET-UNK-94036022-12
0.814
PET-UNK-94036022-2
0.712
PET-UNK-94036022-9
0.712
PET-UNK-143b31ee-1
0.688
PET-UNK-143b31ee-4
0.688
PET-UNK-143b31ee-2
0.643
PET-UNK-143b31ee-5
0.643
JOH-MSK-51c67e7d-2
0.640
JOH-MSK-51c67e7d-1
0.640
PET-UNK-df7eb4e6-4
0.625
PET-UNK-df7eb4e6-8
0.625
MAT-POS-1bed62cf-3
0.617
JOH-MSK-1f2dff76-1
0.617
JOH-MSK-1f2dff76-2
0.617
MIK-ENA-5d9157e9-2
0.613
MIK-ENA-5d9157e9-1
0.613
EDJ-MED-8bb691af-6
0.613
ALP-POS-ecbed2ba-4
0.613
PET-UNK-143b31ee-6
0.595
PET-UNK-143b31ee-3
0.595
ALP-POS-ecbed2ba-8
0.588
ALP-POS-ecbed2ba-3
0.586
ALP-POS-133e7cd9-2
0.583
MIC-UNK-eb20c3e1-3
0.578
ALP-POS-ecbed2ba-15
0.578
LUO-POS-e1dab717-15
0.578
PET-UNK-77d5678a-1
0.575
PET-UNK-77d5678a-4
0.575
PET-UNK-94036022-6
0.574
PET-UNK-94036022-13
0.574
EDJ-MED-4138fde9-7
0.573
LUO-POS-e1dab717-16
0.573
PET-UNK-94036022-10
0.571
PET-UNK-94036022-3
0.571
ALP-POS-ecbed2ba-2
0.567
MIK-ENA-f156d06e-1
0.560
MAT-POS-c2d406ed-1
0.560
ALP-POS-ecbed2ba-11
0.558
ALP-POS-ecbed2ba-6
0.552
EDJ-MED-5cd3920d-5
0.552
EDJ-MED-5cd3920d-6
0.552
VLA-UNK-61877630-10
0.552
ALP-POS-ecbed2ba-22
0.551
MIC-UNK-7b6fe9e8-2
0.551
MAT-POS-c2d406ed-2
0.551
LUO-POS-eaf50f21-1
0.551
PET-UNK-626a1084-2
0.550
PET-UNK-626a1084-4
0.550
EDJ-MED-accc2c4d-1
0.548
ALP-POS-ecbed2ba-1
0.547
MAT-POS-c2d406ed-4
0.546
EDG-MED-b6bce001-2
0.546
MAT-POS-c2d406ed-3
0.546
EDJ-MED-accc2c4d-3
0.544
EDJ-MED-cbbe2dbb-1
0.542
MIC-UNK-7b6fe9e8-1
0.542
LUO-POS-b5068a05-2
0.541
LUO-POS-f7b1afe6-1
0.539
ALP-POS-01611061-2
0.539
ALP-POS-ecbed2ba-5
0.538
LUO-POS-eaf50f21-2
0.533
LUO-POS-eaf50f21-4
0.533
JOH-MSK-1f2dff76-4
0.533
JOH-MSK-1f2dff76-3
0.533
EDJ-MED-3707c4bc-2
0.530
EDJ-MED-3707c4bc-1
0.530
LUO-POS-eaf50f21-3
0.528
ALP-POS-01611061-3
0.525
PET-UNK-626a1084-3
0.522
PET-UNK-626a1084-1
0.522
EDJ-MED-b6c6ee2b-4
0.521
EDJ-MED-4138fde9-8
0.521
EDJ-MED-8bb691af-5
0.521
ALP-POS-ecbed2ba-13
0.521
EDJ-MED-4138fde9-9
0.521
LUO-POS-5857a86a-2
0.521
LUO-POS-eaf50f21-5
0.520
LUO-POS-b5068a05-1
0.520
EDJ-MED-a12e3a20-1
0.517
EDJ-MED-7e491f08-1
0.517
EDJ-MED-7587a9ee-3
0.514
LUO-POS-ed2cfb03-2
0.513
ALP-POS-01611061-1
0.508
MAT-POS-50a80394-8
0.508
LUO-POS-f7b1afe6-2
0.508
MAT-POS-b3212acf-2
0.508
MIC-UNK-257d841f-1
0.508
ALP-POS-ecbed2ba-20
0.504
EDG-MED-00af8776-1
0.504
EDG-MED-0c930815-1
0.504
EDG-MED-b6bce001-1
0.504
MAT-POS-b3212acf-1
0.504
MAT-POS-50a80394-3
0.504
PET-UNK-6da3dcd8-9
0.500
MAT-POS-50a80394-1
0.500