Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(F)cc23)CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 438.03 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-4b4f2bb7-7
0.779
PET-UNK-b78139fa-16
0.771
PET-UNK-b78139fa-14
0.744
PET-UNK-022eab87-2
0.718
PET-UNK-b78139fa-18
0.698
PET-UNK-b78139fa-12
0.685
PET-UNK-b78139fa-11
0.678
PET-UNK-b78139fa-17
0.670
PET-UNK-7bb24635-2
0.629
PET-UNK-b78139fa-10
0.602
PET-UNK-4b4f2bb7-6
0.600
PET-UNK-b78139fa-13
0.598
PET-UNK-09a29654-5
0.588
PET-UNK-4b4f2bb7-5
0.588
ALP-POS-6f6ae286-2
0.588
PET-UNK-09a29654-6
0.571
PET-UNK-7bb24635-3
0.560
MIC-UNK-ea4eb352-1
0.557
EDJ-MED-211392e3-1
0.557
PET-UNK-ab76d8f6-1
0.554
PET-UNK-7bb24635-1
0.545
PET-UNK-6e612674-2
0.542
PET-UNK-6e612674-10
0.542
PET-UNK-4b4f2bb7-9
0.541
PET-UNK-6e612674-1
0.540
PET-UNK-6e612674-9
0.540
EDJ-MED-211392e3-2
0.539
PET-UNK-4b4f2bb7-3
0.535
PET-UNK-1abb40f2-1
0.531
PET-UNK-1abb40f2-3
0.531
PET-UNK-4b4f2bb7-2
0.529
PET-UNK-4b4f2bb7-8
0.520
EDJ-MED-211392e3-3
0.519
PET-UNK-6e612674-6
0.515
PET-UNK-6e612674-14
0.515
PET-UNK-6e612674-5
0.515
PET-UNK-6e612674-13
0.515
PET-UNK-1b92fa34-6
0.510
PET-UNK-ab76d8f6-3
0.510
PET-UNK-329a9ce9-7
0.509
PET-UNK-ee8352fa-2
0.505
PET-UNK-6e612674-3
0.500
PET-UNK-6e612674-11
0.500
PET-UNK-09a29654-4
0.500
PET-UNK-b38839dc-19
0.495
PET-UNK-b566c0b0-1
0.495
PET-UNK-c0891748-9
0.495
PET-UNK-c0891748-3
0.495
PET-UNK-329a9ce9-8
0.491
PET-UNK-6e612674-4
0.491
PET-UNK-6e612674-12
0.491
PET-UNK-1abb40f2-2
0.490
PET-UNK-1abb40f2-4
0.490
PET-UNK-ab76d8f6-6
0.485
PET-UNK-f9b7ae87-9
0.481
PET-UNK-a7639856-2
0.481
PET-UNK-ab76d8f6-2
0.480
PET-UNK-ab76d8f6-4
0.480
PET-UNK-b38839dc-30
0.480
PET-UNK-ab76d8f6-5
0.480
PET-UNK-2c6614b6-7
0.480
PET-UNK-b78139fa-6
0.480
PET-UNK-6e612674-7
0.477
PET-UNK-6e612674-15
0.477
PET-UNK-ad758083-5
0.472
PET-UNK-f9b7ae87-8
0.472
PET-UNK-b38839dc-28
0.472
PET-UNK-4b4f2bb7-1
0.471
EDJ-MED-611d11e7-4
0.471
PET-UNK-1b92fa34-5
0.471
MAT-POS-a5ef2d74-2
0.471
MAT-POS-ec6d90b7-4
0.471
MIC-UNK-54748b58-2
0.468
PET-UNK-81b485b5-8
0.467
PET-UNK-81b485b5-22
0.467
PET-UNK-1b92fa34-8
0.467
PET-UNK-4b4f2bb7-4
0.466
PET-UNK-6e612674-8
0.464
PET-UNK-6e612674-16
0.464
PET-UNK-5ad1c31a-3
0.464
PET-UNK-5ad1c31a-9
0.464
PET-UNK-ee8352fa-3
0.462
PET-UNK-81b485b5-21
0.462
PET-UNK-81b485b5-7
0.462
PET-UNK-a7639856-3
0.459
PET-UNK-b38839dc-22
0.459
PET-UNK-b566c0b0-4
0.457
ALP-POS-6f6ae286-3
0.457
PET-UNK-5d7c542f-1
0.457
PET-UNK-b566c0b0-5
0.456
MIC-UNK-ea4eb352-9
0.453
MAT-POS-c88128cb-12
0.452
PET-UNK-5ad1c31a-4
0.450
PET-UNK-5ad1c31a-10
0.450
PET-UNK-b566c0b0-3
0.449
PET-UNK-b38839dc-25
0.446
PET-UNK-0d6841fa-5
0.446
PET-UNK-e9bc7c59-8
0.446
PET-UNK-b566c0b0-2
0.444
PET-UNK-407a74a5-16
0.442