Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3sccc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 422.02 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-ab76d8f6-2
0.759
PET-UNK-4b4f2bb7-3
0.688
PET-UNK-4b4f2bb7-9
0.681
PET-UNK-4b4f2bb7-8
0.674
MIC-UNK-ea4eb352-1
0.663
PET-UNK-ab76d8f6-3
0.663
PET-UNK-b38839dc-30
0.663
EDJ-MED-211392e3-1
0.663
ALP-POS-6f6ae286-2
0.660
PET-UNK-4b4f2bb7-5
0.660
PET-UNK-4b4f2bb7-6
0.656
PET-UNK-4b4f2bb7-7
0.649
PET-UNK-4b4f2bb7-2
0.646
PET-UNK-7bb24635-1
0.629
PET-UNK-7bb24635-3
0.629
PET-UNK-0df12184-5
0.624
MAR-UCB-fd2e172f-24
0.624
PET-UNK-ab76d8f6-1
0.622
EDJ-MED-211392e3-2
0.622
PET-UNK-7bb24635-2
0.616
PET-UNK-ab76d8f6-4
0.611
EDJ-MED-211392e3-3
0.598
PET-UNK-ab76d8f6-5
0.594
PET-UNK-4b4f2bb7-4
0.594
PET-UNK-09a29654-4
0.592
PET-UNK-09a29654-5
0.592
PET-UNK-4b4f2bb7-1
0.582
PET-UNK-09a29654-6
0.575
PET-UNK-81b485b5-4
0.566
PET-UNK-81b485b5-18
0.566
PET-UNK-c65ea24c-18
0.545
PET-UNK-f9b7ae87-3
0.545
PET-UNK-c65ea24c-6
0.535
PET-UNK-b78139fa-12
0.520
PET-UNK-ad758083-5
0.519
PET-UNK-c65ea24c-12
0.514
PET-UNK-b78139fa-18
0.510
PET-UNK-b78139fa-17
0.505
PET-UNK-b78139fa-14
0.505
MIC-UNK-ea4eb352-5
0.495
PET-UNK-022eab87-2
0.495
PET-UNK-b78139fa-16
0.490
PET-UNK-7f7e354d-3
0.490
PET-UNK-b78139fa-11
0.485
PET-UNK-b78139fa-15
0.485
PET-UNK-0d6841fa-5
0.477
MIC-UNK-ea4eb352-9
0.472
PET-UNK-0df12184-1
0.462
PET-UNK-b78139fa-13
0.447
JIN-POS-6dc588a4-22
0.441
PET-UNK-b78139fa-10
0.438
EDJ-MED-70ab3faf-1
0.433
PET-UNK-6e612674-1
0.431
PET-UNK-6e612674-9
0.431
PET-UNK-6e612674-2
0.429
PET-UNK-6e612674-10
0.429
MAR-UCB-fd2e172f-28
0.427
PET-UNK-6e612674-5
0.423
PET-UNK-6e612674-13
0.423
PET-UNK-1abb40f2-1
0.421
PET-UNK-1abb40f2-3
0.421
PET-UNK-6e612674-6
0.421
PET-UNK-6e612674-14
0.421
MAR-UCB-fd2e172f-43
0.418
PET-UNK-1abb40f2-2
0.413
PET-UNK-1abb40f2-4
0.413
EDJ-MED-70ab3faf-2
0.409
PET-UNK-c65ea24c-14
0.409
PET-UNK-f4e47ebd-19
0.409
PET-UNK-407a74a5-16
0.407
PET-UNK-407a74a5-11
0.405
MAR-UCB-fd2e172f-31
0.404
PET-UNK-407a74a5-1
0.404
PET-UNK-7f7e354d-6
0.404
EDJ-MED-70ab3faf-3
0.404
MAR-UCB-fd2e172f-41
0.402
PET-UNK-b38839dc-18
0.402
PET-UNK-0df12184-2
0.402
PET-UNK-407a74a5-6
0.402
PET-UNK-c65ea24c-2
0.402
PET-UNK-6e612674-3
0.398
PET-UNK-6e612674-11
0.398
PET-UNK-c65ea24c-8
0.397
PET-UNK-5d7c542f-1
0.396
ALP-POS-6f6ae286-3
0.396
PET-UNK-7f7e354d-1
0.396
PET-UNK-f4e47ebd-17
0.394
MAT-POS-a5ef2d74-3
0.394
EDJ-MED-611d11e7-10
0.394
PET-UNK-5ad1c31a-3
0.393
PET-UNK-5ad1c31a-9
0.393
PET-UNK-7f7e354d-2
0.393
PET-UNK-6e612674-4
0.391
PET-UNK-6e612674-7
0.391
PET-UNK-6e612674-12
0.391
PET-UNK-6e612674-15
0.391
PET-UNK-7f7e354d-4
0.391
PET-UNK-ee8352fa-3
0.389
MIC-UNK-ea4eb352-4
0.389
EDG-MED-0e5afe9d-3
0.385