Molecular Properties | |
SMILES: | CCC1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(S(=O)(=O)CC1(C#N)CC1)Cc1ccc(Cl)cc12 |
MW: | 548.13 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 111.44 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Hetero_hetero
MAT-POS-50a80394-2
0.679
MIK-ENA-be04d1d4-1
0.679
MIK-ENA-e143773d-1
0.679
MIK-ENA-edcfce18-1
0.679
MIK-ENA-0547b12c-1
0.679
MAT-POS-1bed62cf-1
0.667
LUO-POS-868e8996-9
0.667
LUO-POS-868e8996-10
0.667
EDJ-MED-cbbe2dbb-1
0.652
MIC-UNK-7b6fe9e8-1
0.652
MIK-ENA-99706bb8-1
0.649
MIK-ENA-17e27e9c-1
0.649
MIK-ENA-623fe2a6-1
0.649
MIK-ENA-2c0ad173-1
0.649
MIC-UNK-7b6fe9e8-2
0.649
MAT-POS-c2d406ed-2
0.649
MAT-POS-50a80394-1
0.649
EDG-MED-b6bce001-2
0.643
PET-UNK-143b31ee-2
0.643
PET-UNK-143b31ee-5
0.643
MAT-POS-c2d406ed-4
0.643
MAT-POS-50a80394-3
0.638
MAT-POS-b3212acf-1
0.638
LUO-POS-eaf50f21-1
0.635
MIK-ENA-f156d06e-1
0.632
PET-UNK-94036022-13
0.632
MAT-POS-c2d406ed-1
0.632
PET-UNK-94036022-6
0.632
MAT-POS-c2d406ed-3
0.629
PET-UNK-143b31ee-1
0.629
PET-UNK-143b31ee-4
0.629
MAT-POS-b3212acf-2
0.629
MIC-UNK-257d841f-1
0.629
PET-UNK-143b31ee-3
0.624
PET-UNK-143b31ee-6
0.624
MIK-ENA-5d9157e9-1
0.614
MIK-ENA-5d9157e9-2
0.614
ALP-POS-ecbed2ba-4
0.614
EDJ-MED-8bb691af-6
0.614
LUO-POS-eaf50f21-2
0.613
LUO-POS-eaf50f21-4
0.613
MIC-UNK-257d841f-2
0.613
LUO-POS-eaf50f21-5
0.612
MIC-UNK-eb20c3e1-1
0.607
MIC-UNK-eb20c3e1-4
0.605
MIC-UNK-7b6fe9e8-3
0.605
MIC-UNK-c85ea37c-3
0.602
LUO-POS-b5068a05-1
0.598
ALP-POS-133e7cd9-2
0.598
LUO-POS-5857a86a-1
0.597
ALP-POS-01611061-2
0.596
LUO-POS-f7b1afe6-1
0.596
LUO-POS-b5068a05-2
0.595
LUO-POS-eaf50f21-3
0.593
LUO-POS-e1dab717-15
0.593
LUO-POS-f7b1afe6-2
0.590
ALP-POS-01611061-1
0.590
MAT-POS-50a80394-8
0.590
LUO-POS-5857a86a-2
0.590
LUO-POS-e1dab717-16
0.588
EDJ-MED-7e491f08-1
0.586
EDJ-MED-a12e3a20-1
0.586
EDG-MED-b6bce001-1
0.585
EDG-MED-00af8776-1
0.585
EDG-MED-0c930815-1
0.585
MIC-UNK-c85ea37c-1
0.584
ALP-POS-01611061-3
0.581
ALP-POS-ecbed2ba-15
0.580
PET-UNK-94036022-4
0.578
PET-UNK-94036022-11
0.578
MIC-UNK-c85ea37c-2
0.577
ALP-POS-ecbed2ba-8
0.576
EDJ-MED-8bb691af-2
0.569
JOH-MSK-949975c8-1
0.565
EDJ-MED-8bb691af-5
0.563
ALP-POS-ecbed2ba-11
0.561
EDJ-MED-4138fde9-7
0.549
ALP-POS-ecbed2ba-2
0.544
PET-UNK-94036022-5
0.534
PET-UNK-94036022-12
0.534
EDJ-MED-b6c6ee2b-4
0.525
PET-UNK-94036022-9
0.525
PET-UNK-94036022-2
0.525
JOH-MSK-ccc6e4c0-1
0.520
VLA-UNK-61877630-8
0.516
VLA-UNK-e334495f-2
0.516
VLA-UNK-e334495f-3
0.512
VLA-UNK-61877630-9
0.512
EDJ-MED-accc2c4d-3
0.508
ALP-POS-c3a90b22-7
0.508
MIC-UNK-eb20c3e1-2
0.508
VLA-UNK-e334495f-4
0.508
PET-UNK-6da3dcd8-8
0.500
MAT-POS-89bd6af1-2
0.500
MAT-POS-89bd6af1-1
0.500
ALP-POS-c56c1477-4
0.500
EDJ-MED-b1cef252-2
0.500
MAT-POS-83a7b0a0-2
0.500
MAT-POS-853c0ffa-11
0.496
VLA-UNK-61877630-7
0.496