Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnccc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 417.06 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.25 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b78139fa-18
0.774
PET-UNK-4b4f2bb7-8
0.761
EDJ-MED-211392e3-1
0.750
MIC-UNK-ea4eb352-1
0.750
PET-UNK-4b4f2bb7-5
0.725
ALP-POS-6f6ae286-2
0.725
PET-UNK-4b4f2bb7-7
0.714
PET-UNK-4b4f2bb7-2
0.710
PET-UNK-7bb24635-3
0.710
PET-UNK-4b4f2bb7-6
0.703
PET-UNK-ab76d8f6-1
0.702
EDJ-MED-211392e3-2
0.702
PET-UNK-ab76d8f6-6
0.681
PET-UNK-4b4f2bb7-3
0.681
PET-UNK-7bb24635-1
0.674
EDJ-MED-211392e3-3
0.673
PET-UNK-7bb24635-2
0.660
PET-UNK-ab76d8f6-2
0.656
PET-UNK-ab76d8f6-3
0.656
PET-UNK-b38839dc-30
0.656
PET-UNK-ab76d8f6-4
0.638
PET-UNK-ab76d8f6-5
0.638
PET-UNK-4b4f2bb7-4
0.638
PET-UNK-09a29654-4
0.634
PET-UNK-09a29654-5
0.634
PET-UNK-4b4f2bb7-1
0.625
PET-UNK-09a29654-6
0.615
PET-UNK-b78139fa-17
0.579
PET-UNK-b566c0b0-5
0.577
PET-UNK-ad758083-5
0.573
PET-UNK-022eab87-2
0.568
PET-UNK-b78139fa-14
0.561
MIC-UNK-ea4eb352-5
0.551
PET-UNK-0d6841fa-5
0.542
PET-UNK-b78139fa-15
0.541
PET-UNK-b78139fa-11
0.540
MIC-UNK-ea4eb352-9
0.539
PET-UNK-f4e47ebd-21
0.535
PET-UNK-b78139fa-16
0.531
PET-UNK-f4e47ebd-24
0.524
PET-UNK-b78139fa-12
0.515
EDJ-MED-70ab3faf-1
0.500
PET-UNK-6e612674-2
0.495
PET-UNK-6e612674-10
0.495
PET-UNK-6e612674-6
0.485
PET-UNK-1abb40f2-1
0.485
PET-UNK-1abb40f2-3
0.485
PET-UNK-6e612674-14
0.485
PET-UNK-b78139fa-13
0.485
PET-UNK-6e612674-9
0.481
PET-UNK-6e612674-1
0.481
PET-UNK-407a74a5-6
0.480
PET-UNK-2c6614b6-9
0.480
PET-UNK-1abb40f2-4
0.476
PET-UNK-1abb40f2-2
0.476
PET-UNK-b78139fa-10
0.476
PET-UNK-6e612674-13
0.472
PET-UNK-6e612674-5
0.472
EDJ-MED-70ab3faf-2
0.472
PET-UNK-407a74a5-16
0.471
PET-UNK-407a74a5-1
0.467
PET-UNK-f4e47ebd-28
0.464
EDJ-MED-70ab3faf-3
0.464
PET-UNK-6e612674-3
0.459
PET-UNK-6e612674-11
0.459
EDJ-MED-611d11e7-10
0.457
PET-UNK-f4e47ebd-17
0.457
MAT-POS-d8472c4f-3
0.457
MIC-UNK-ea4eb352-3
0.457
MAT-POS-a5ef2d74-3
0.457
PET-UNK-407a74a5-11
0.454
PET-UNK-c0891748-9
0.453
PET-UNK-c0891748-3
0.453
MIC-UNK-ea4eb352-4
0.452
PET-UNK-6e612674-4
0.450
PET-UNK-6e612674-7
0.450
PET-UNK-6e612674-12
0.450
PET-UNK-6e612674-15
0.450
PET-UNK-b78139fa-9
0.450
PET-UNK-ee8352fa-3
0.450
PET-UNK-29afea89-2
0.448
EDJ-MED-d08626de-2
0.448
EDJ-MED-d08626de-1
0.448
EDG-MED-0e5afe9d-3
0.448
ALP-POS-6f6ae286-3
0.444
PET-UNK-5d7c542f-1
0.444
MIC-UNK-54748b58-2
0.442
PET-UNK-5ad1c31a-10
0.439
PET-UNK-5ad1c31a-3
0.439
PET-UNK-6e612674-8
0.439
PET-UNK-6e612674-16
0.439
PET-UNK-5ad1c31a-4
0.439
PET-UNK-5ad1c31a-9
0.439
MIC-UNK-7f86385f-1
0.434
ALP-POS-fe871b40-8
0.430
JUL-TUD-06b2044f-51
0.429
PET-UNK-f4e47ebd-18
0.427
PET-UNK-b566c0b0-6
0.426
EDJ-MED-6bf93aa8-1
0.425
PET-UNK-5d7c542f-2
0.423