Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@]3(C2)OCC(=O)N(c2cncc4ccccc24)C3=O)CC1 |
MW: | 536.09 |
Fraction sp3: | 0.31 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 120.67 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Hetero_hetero
PET-UNK-143b31ee-6
1.000
MAT-POS-1bed62cf-1
0.685
LUO-POS-868e8996-9
0.685
LUO-POS-868e8996-10
0.685
PET-UNK-143b31ee-1
0.647
PET-UNK-143b31ee-4
0.647
MIC-UNK-eb20c3e1-3
0.624
MAT-POS-c2d406ed-1
0.621
PET-UNK-94036022-13
0.621
MIK-ENA-f156d06e-1
0.621
PET-UNK-94036022-6
0.621
PET-UNK-143b31ee-2
0.619
PET-UNK-143b31ee-5
0.619
PET-UNK-eeb64427-3
0.614
PET-UNK-eeb64427-6
0.614
LUO-POS-eaf50f21-1
0.610
MIC-UNK-7b6fe9e8-2
0.610
MAT-POS-c2d406ed-2
0.610
LUO-POS-eaf50f21-3
0.610
EDG-MED-b6bce001-2
0.605
MAT-POS-c2d406ed-3
0.605
MAT-POS-c2d406ed-4
0.605
LUO-POS-eaf50f21-4
0.603
EDJ-MED-cbbe2dbb-1
0.600
MIC-UNK-7b6fe9e8-1
0.600
LUO-POS-b5068a05-2
0.598
PET-UNK-94036022-11
0.595
PET-UNK-94036022-4
0.595
LUO-POS-eaf50f21-2
0.590
MIK-ENA-5d9157e9-2
0.590
MIK-ENA-5d9157e9-1
0.590
EDJ-MED-8bb691af-6
0.590
ALP-POS-ecbed2ba-4
0.590
EDJ-MED-7e491f08-1
0.590
LUO-POS-f7b1afe6-1
0.586
ALP-POS-01611061-2
0.586
EDJ-MED-8bb691af-5
0.580
ALP-POS-01611061-1
0.580
LUO-POS-f7b1afe6-2
0.580
MAT-POS-50a80394-8
0.580
MAT-POS-b3212acf-2
0.579
MIC-UNK-257d841f-1
0.579
EDJ-MED-a12e3a20-1
0.576
LUO-POS-eaf50f21-5
0.576
LUO-POS-b5068a05-1
0.576
EDJ-MED-8bb691af-2
0.573
ALP-POS-01611061-3
0.571
LUO-POS-5857a86a-2
0.567
LUO-POS-e1dab717-16
0.566
EDG-MED-00af8776-1
0.562
EDG-MED-0c930815-1
0.562
EDG-MED-b6bce001-1
0.562
ALP-POS-133e7cd9-2
0.562
MIK-ENA-99706bb8-1
0.557
MIK-ENA-17e27e9c-1
0.557
MIK-ENA-623fe2a6-1
0.557
MIK-ENA-2c0ad173-1
0.557
MIK-ENA-be04d1d4-1
0.557
MIK-ENA-e143773d-1
0.557
MIK-ENA-edcfce18-1
0.557
MIK-ENA-0547b12c-1
0.557
MAT-POS-50a80394-1
0.557
MAT-POS-50a80394-2
0.557
LUO-POS-e1dab717-15
0.557
MIC-UNK-7b6fe9e8-3
0.556
ALP-POS-ecbed2ba-8
0.554
LUO-POS-5857a86a-1
0.548
MAT-POS-b3212acf-1
0.548
MAT-POS-50a80394-3
0.548
ALP-POS-ecbed2ba-15
0.545
MIC-UNK-257d841f-2
0.540
ALP-POS-ecbed2ba-11
0.540
PET-UNK-94036022-5
0.538
PET-UNK-94036022-12
0.538
JOH-MSK-949975c8-1
0.533
MIC-UNK-c85ea37c-3
0.531
MIC-UNK-c85ea37c-1
0.527
ALP-POS-ecbed2ba-2
0.523
EDJ-MED-4138fde9-7
0.516
JOH-MSK-ccc6e4c0-1
0.512
MIC-UNK-c85ea37c-2
0.511
PET-UNK-6da3dcd8-9
0.508
PET-UNK-94036022-2
0.504
ALP-POS-c56c1477-4
0.504
MAT-POS-89bd6af1-1
0.504
EDJ-MED-b6c6ee2b-4
0.504
PET-UNK-94036022-9
0.504
PET-UNK-df7eb4e6-8
0.500
PET-UNK-df7eb4e6-4
0.500
VLA-UNK-e334495f-2
0.496
VLA-UNK-61877630-8
0.496
PET-UNK-6da3dcd8-10
0.492
EDJ-MED-7587a9ee-4
0.492
VLA-UNK-e334495f-1
0.488
VLA-UNK-61877630-7
0.488
ALP-POS-c3a90b22-7
0.488
ALP-POS-ecbed2ba-3
0.488
MAT-POS-853c0ffa-13
0.484
PET-UNK-6da3dcd8-8
0.480
EDJ-MED-b1cef252-2
0.480