Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC(C)(C(=O)Nc3cncc4cc(S(C)(=O)=O)ccc34)c3cc(Cl)ccc3S2(=O)=O)CC1 |
MW: | 576.09 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 142.61 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDG-MED-b8f93667-4
0.742
EDJ-MED-b2a1399d-1
0.718
EDJ-MED-c3ea9889-3
0.718
EDG-MED-b8f93667-6
0.686
EDG-MED-b8f93667-8
0.679
EDG-MED-b8f93667-2
0.667
EDJ-MED-70ab3faf-2
0.653
EDJ-MED-dac03e7f-2
0.649
EDJ-MED-dac03e7f-1
0.643
EDJ-MED-dac03e7f-3
0.637
EDJ-MED-dac03e7f-4
0.637
MAT-POS-c88128cb-14
0.615
PET-UNK-6e612674-7
0.593
PET-UNK-6e612674-15
0.593
EDJ-MED-c3ea9889-2
0.565
EDG-MED-b8f93667-3
0.561
EDJ-MED-211392e3-2
0.555
EDJ-MED-3bfd841e-1
0.549
EDG-MED-b8f93667-5
0.539
EDJ-MED-c3ea9889-1
0.535
EDG-MED-b8f93667-7
0.534
PET-UNK-6e612674-3
0.532
PET-UNK-6e612674-11
0.532
LUO-POS-c9faae85-1
0.522
MAT-POS-83f73d0a-3
0.514
EDG-MED-b8f93667-1
0.508
MAT-POS-e119ab4f-5
0.504
LUO-POS-868e8996-1
0.504
MIK-ENA-e76e31f3-1
0.504
LUO-POS-868e8996-2
0.504
MIK-ENA-d22671f7-1
0.504
MIK-ENA-f5fe7855-1
0.504
EDJ-MED-dac03e7f-6
0.496
MAT-POS-c88128cb-8
0.496
LUO-POS-3b937086-1
0.496
LUO-POS-66f38ea0-1
0.496
MAT-POS-c88128cb-5
0.496
EDJ-MED-dac03e7f-5
0.492
EDJ-MED-dac03e7f-8
0.492
MAT-POS-83f73d0a-4
0.491
EDJ-MED-dac03e7f-7
0.488
MAT-POS-c88128cb-6
0.487
EDJ-MED-d165ed91-2
0.483
EDJ-MED-41558c53-4
0.483
PET-UNK-5ad1c31a-6
0.483
EDJ-MED-70ab3faf-3
0.483
PET-UNK-5ad1c31a-5
0.483
PET-UNK-5ad1c31a-11
0.483
PET-UNK-5ad1c31a-12
0.483
EDJ-MED-c3ea9889-5
0.478
MAT-POS-c88128cb-9
0.475
MAT-POS-c88128cb-4
0.474
MAT-POS-c88128cb-10
0.463
LUO-POS-e3baa4d7-1
0.462
MAT-POS-c88128cb-3
0.462
PET-UNK-6e612674-8
0.458
PET-UNK-6e612674-16
0.458
EDJ-MED-93390d0c-2
0.456
MAT-POS-c88128cb-13
0.456
EDJ-MED-f9b78f78-1
0.451
PET-UNK-6e612674-14
0.451
PET-UNK-6e612674-6
0.451
MAT-POS-c88128cb-7
0.451
PET-UNK-6e612674-13
0.441
PET-UNK-6e612674-5
0.441
EDJ-MED-70ab3faf-1
0.438
EDJ-MED-b2a1399d-4
0.435
EDG-MED-ee636701-1
0.434
EDJ-MED-c3ea9889-4
0.433
MAT-POS-666635d5-1
0.433
EDJ-MED-b2a1399d-3
0.433
EDJ-MED-841e0cf0-4
0.431
EDJ-MED-670ad2ee-4
0.431
EDG-MED-9fc99cca-4
0.431
EDJ-MED-93390d0c-3
0.429
MIC-UNK-7f86385f-4
0.424
EDJ-MED-6bf93aa8-1
0.421
ALP-POS-1cbc2fae-1
0.421
MAT-POS-806462de-1
0.421
MAT-POS-806462de-2
0.421
EDG-MED-10fcb19e-4
0.420
EDJ-MED-d165ed91-1
0.415
EDJ-MED-41558c53-2
0.415
PET-UNK-407a74a5-16
0.414
EDJ-MED-41558c53-8
0.413
PET-UNK-4b4f2bb7-5
0.412
ALP-POS-6f6ae286-2
0.412
MIC-UNK-7f86385f-2
0.411
EDJ-MED-211392e3-3
0.411
EDJ-MED-ede277f6-12
0.411
EDJ-MED-41558c53-10
0.410
PET-UNK-6e612674-4
0.410
PET-UNK-6e612674-12
0.410
MIC-UNK-7f86385f-5
0.409
EDJ-MED-0186a59b-7
0.408
EDJ-MED-0186a59b-3
0.408
EDJ-MED-7889e8da-5
0.408
MAT-POS-2e8b2191-12
0.408
MIC-UNK-7f86385f-1
0.407
EDJ-MED-7889e8da-6
0.406