Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@]3(OC)CS(=O)(=O)c4ccc(Cl)cc43)c2cn1 |
MW: | 433.05 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.48 |
cLogP: | 2.56 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-4b4f2bb7-3
0.784
PET-UNK-b78139fa-11
0.739
PET-UNK-b78139fa-14
0.689
PET-UNK-b78139fa-15
0.685
PET-UNK-b566c0b0-4
0.685
PET-UNK-b78139fa-17
0.674
PET-UNK-b78139fa-18
0.663
PET-UNK-022eab87-2
0.663
PET-UNK-b78139fa-16
0.656
PET-UNK-f4e47ebd-19
0.632
PET-UNK-f4e47ebd-27
0.590
PET-UNK-b78139fa-13
0.585
PET-UNK-4b4f2bb7-2
0.580
PET-UNK-b78139fa-10
0.573
PET-UNK-81b485b5-14
0.564
PET-UNK-81b485b5-28
0.564
PET-UNK-4b4f2bb7-5
0.545
ALP-POS-6f6ae286-2
0.545
PET-UNK-4b4f2bb7-7
0.535
PET-UNK-2c6614b6-3
0.535
PET-UNK-7bb24635-3
0.534
PET-UNK-b78139fa-3
0.530
PET-UNK-4b4f2bb7-8
0.525
PET-UNK-f4e47ebd-22
0.524
PET-UNK-7bb24635-2
0.524
PET-UNK-ab76d8f6-6
0.520
PET-UNK-6e612674-2
0.515
PET-UNK-6e612674-10
0.515
MIC-UNK-ea4eb352-1
0.515
EDJ-MED-211392e3-1
0.515
PET-UNK-4b4f2bb7-9
0.515
PET-UNK-ab76d8f6-2
0.515
PET-UNK-ab76d8f6-1
0.514
EDJ-MED-211392e3-2
0.514
PET-UNK-f4e47ebd-31
0.514
PET-UNK-4b4f2bb7-6
0.510
PET-UNK-b566c0b0-3
0.510
PET-UNK-7bb24635-1
0.505
PET-UNK-6e612674-1
0.500
PET-UNK-ab76d8f6-3
0.500
PET-UNK-6e612674-9
0.500
EDJ-MED-211392e3-3
0.495
PET-UNK-09a29654-5
0.491
PET-UNK-1abb40f2-3
0.490
PET-UNK-6e612674-6
0.490
PET-UNK-6e612674-14
0.490
PET-UNK-1abb40f2-1
0.490
PET-UNK-ab76d8f6-4
0.485
PET-UNK-f4e47ebd-2
0.484
PET-UNK-09a29654-6
0.478
PET-UNK-6e612674-5
0.477
PET-UNK-6e612674-11
0.477
PET-UNK-6e612674-13
0.477
PET-UNK-6e612674-3
0.477
PET-UNK-b566c0b0-1
0.472
PET-UNK-1e13ef09-4
0.472
PET-UNK-b38839dc-30
0.471
PET-UNK-ab76d8f6-5
0.471
PET-UNK-6e612674-4
0.468
PET-UNK-6e612674-12
0.468
PET-UNK-09a29654-4
0.464
PET-UNK-f4e47ebd-18
0.458
PET-UNK-c0891748-3
0.457
PET-UNK-c0891748-9
0.457
PET-UNK-b566c0b0-6
0.457
PET-UNK-4b4f2bb7-4
0.457
PET-UNK-5ad1c31a-3
0.455
PET-UNK-5ad1c31a-9
0.455
PET-UNK-6e612674-7
0.455
PET-UNK-6e612674-15
0.455
PET-UNK-1abb40f2-4
0.453
PET-UNK-1abb40f2-2
0.453
PET-UNK-f4e47ebd-4
0.453
PET-UNK-4b4f2bb7-1
0.449
PET-UNK-1b92fa34-5
0.448
PET-UNK-b566c0b0-5
0.448
PET-UNK-1b92fa34-6
0.443
PET-UNK-6e612674-8
0.442
PET-UNK-6e612674-16
0.442
PET-UNK-f4e47ebd-12
0.440
PET-UNK-ee8352fa-3
0.440
PET-UNK-f4e47ebd-26
0.438
PET-UNK-ad758083-5
0.438
PET-UNK-f9b7ae87-6
0.436
PET-UNK-329a9ce9-7
0.434
PET-UNK-5ad1c31a-4
0.430
PET-UNK-5ad1c31a-10
0.430
PET-UNK-b566c0b0-2
0.423
PET-UNK-5d7c542f-1
0.422
ALP-POS-6f6ae286-3
0.422
MIC-UNK-54748b58-2
0.421
PET-UNK-329a9ce9-8
0.419
PET-UNK-b38839dc-20
0.418
PET-UNK-b38839dc-19
0.418
PET-UNK-f9b7ae87-7
0.416
PET-UNK-f4e47ebd-8
0.414
PET-UNK-ee8352fa-2
0.414
PET-UNK-0d6841fa-5
0.414
PET-UNK-329a9ce9-5
0.412
EDJ-MED-70ab3faf-2
0.409