Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCC(=O)N(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 534.11 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 111.44 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Glutarimides
cycloheximide
Hetero_hetero
PET-UNK-143b31ee-4
1.000
MAT-POS-1bed62cf-1
0.788
LUO-POS-868e8996-9
0.788
LUO-POS-868e8996-10
0.788
MIK-ENA-5d9157e9-1
0.729
EDJ-MED-8bb691af-6
0.729
MIK-ENA-5d9157e9-2
0.729
ALP-POS-ecbed2ba-4
0.729
PET-UNK-143b31ee-2
0.712
PET-UNK-143b31ee-5
0.712
ALP-POS-133e7cd9-2
0.694
PET-UNK-94036022-4
0.688
PET-UNK-94036022-11
0.688
ALP-POS-ecbed2ba-8
0.685
ALP-POS-ecbed2ba-15
0.673
ALP-POS-ecbed2ba-11
0.650
PET-UNK-143b31ee-3
0.647
PET-UNK-143b31ee-6
0.647
ALP-POS-ecbed2ba-2
0.644
LUO-POS-e1dab717-15
0.643
EDJ-MED-b6c6ee2b-4
0.643
MIK-ENA-f156d06e-1
0.640
MAT-POS-c2d406ed-1
0.640
PET-UNK-94036022-6
0.640
PET-UNK-94036022-13
0.640
MAT-POS-c2d406ed-4
0.638
LUO-POS-e1dab717-16
0.638
EDJ-MED-4138fde9-7
0.638
MIC-UNK-eb20c3e1-3
0.629
LUO-POS-eaf50f21-1
0.629
PET-UNK-94036022-9
0.628
PET-UNK-94036022-2
0.628
PET-UNK-94036022-12
0.625
PET-UNK-94036022-5
0.625
EDG-MED-b6bce001-2
0.624
LUO-POS-f7b1afe6-1
0.619
ALP-POS-01611061-2
0.619
EDJ-MED-cbbe2dbb-1
0.619
MIC-UNK-7b6fe9e8-1
0.619
LUO-POS-b5068a05-2
0.617
MIC-UNK-7b6fe9e8-2
0.615
MAT-POS-c2d406ed-2
0.615
MAT-POS-c2d406ed-3
0.610
MIK-ENA-bb7b6957-1
0.608
EDJ-MED-b6c6ee2b-3
0.608
LUO-POS-eaf50f21-2
0.608
LUO-POS-eaf50f21-4
0.608
MIK-ENA-60569a44-1
0.608
PET-UNK-eeb64427-4
0.605
PET-UNK-eeb64427-1
0.605
ALP-POS-01611061-3
0.603
MAT-POS-853c0ffa-13
0.602
ALP-POS-ecbed2ba-3
0.596
LUO-POS-b5068a05-1
0.593
LUO-POS-eaf50f21-5
0.593
LUO-POS-eaf50f21-3
0.589
ALP-POS-ecbed2ba-22
0.588
EDJ-MED-ee81482e-2
0.587
EDJ-MED-accc2c4d-1
0.586
MAT-POS-1d5ab790-1
0.585
MAT-POS-853c0ffa-5
0.585
LUO-POS-5857a86a-2
0.585
EDJ-MED-ee81482e-1
0.584
PET-UNK-94036022-3
0.583
PET-UNK-94036022-10
0.583
EDJ-MED-accc2c4d-3
0.583
EDJ-MED-5cd3920d-2
0.582
EDJ-MED-a12e3a20-1
0.581
EDJ-MED-7e491f08-1
0.581
EDJ-MED-5cd3920d-1
0.581
MAT-POS-853c0ffa-11
0.577
MAT-POS-853c0ffa-6
0.576
MAT-POS-38eb6498-2
0.576
MIK-ENA-99706bb8-1
0.575
MIK-ENA-17e27e9c-1
0.575
MIK-ENA-623fe2a6-1
0.575
MIK-ENA-2c0ad173-1
0.575
VLA-UNK-61877630-8
0.575
VLA-UNK-e334495f-2
0.575
MAT-POS-50a80394-1
0.575
MIC-UNK-7b6fe9e8-3
0.574
EDJ-MED-8bb691af-5
0.571
MAT-POS-50a80394-8
0.571
ALP-POS-01611061-1
0.571
LUO-POS-f7b1afe6-2
0.571
MAT-POS-1a788f51-1
0.571
MAT-POS-b3212acf-2
0.570
MIC-UNK-257d841f-1
0.570
EDG-MED-00af8776-1
0.567
EDG-MED-0c930815-1
0.567
EDG-MED-b6bce001-1
0.567
PET-UNK-df7eb4e6-4
0.567
PET-UNK-df7eb4e6-8
0.567
LUO-POS-8484f2d3-1
0.566
MAT-POS-853c0ffa-9
0.566
MAT-POS-38eb6498-1
0.566
MIK-ENA-8063e9dc-1
0.566
LUO-POS-8484f2d3-2
0.566
MIK-ENA-7066949b-1
0.566
MAT-POS-b3212acf-1
0.566