Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 420.03 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-4b4f2bb7-6
0.776
PET-UNK-b78139fa-15
0.771
PET-UNK-022eab87-2
0.768
PET-UNK-b78139fa-14
0.753
PET-UNK-b78139fa-17
0.718
PET-UNK-b78139fa-18
0.686
PET-UNK-b78139fa-11
0.685
PET-UNK-1b92fa34-6
0.667
PET-UNK-b78139fa-12
0.656
MAT-POS-a5ef2d74-2
0.620
MAT-POS-ec6d90b7-4
0.620
EDJ-MED-611d11e7-4
0.620
PET-UNK-7bb24635-1
0.615
PET-UNK-1b92fa34-8
0.611
PET-UNK-b78139fa-13
0.604
PET-UNK-4b4f2bb7-7
0.600
EDJ-MED-211392e3-1
0.596
MIC-UNK-ea4eb352-1
0.596
ALP-POS-6f6ae286-2
0.594
PET-UNK-4b4f2bb7-5
0.594
PET-UNK-b78139fa-10
0.591
MAT-POS-c88128cb-12
0.579
PET-UNK-9bf1291a-2
0.573
EDJ-MED-670ad2ee-3
0.571
EDJ-MED-923a35c2-5
0.571
EDJ-MED-841e0cf0-3
0.571
PET-UNK-7bb24635-2
0.570
PET-UNK-09a29654-4
0.563
PET-UNK-4b4f2bb7-8
0.557
PET-UNK-1abb40f2-1
0.552
PET-UNK-1abb40f2-3
0.552
PET-UNK-7bb24635-3
0.550
PET-UNK-b566c0b0-8
0.549
PET-UNK-6e612674-1
0.545
PET-UNK-6e612674-9
0.545
PET-UNK-03fd2068-7
0.541
PET-UNK-9bf1291a-4
0.539
PET-UNK-4b4f2bb7-2
0.535
PET-UNK-09a29654-5
0.533
PET-UNK-4b4f2bb7-9
0.531
PET-UNK-c0891748-3
0.531
PET-UNK-c0891748-9
0.531
PET-UNK-ab76d8f6-3
0.531
PET-UNK-ab76d8f6-1
0.529
PET-UNK-1abb40f2-2
0.525
PET-UNK-1abb40f2-4
0.525
PET-UNK-03fd2068-10
0.524
PET-UNK-bcc8fd08-2
0.520
PET-UNK-6e612674-5
0.520
PET-UNK-6e612674-13
0.520
PET-UNK-09a29654-6
0.519
PET-UNK-4b4f2bb7-3
0.510
PET-UNK-1b92fa34-5
0.505
PET-UNK-b566c0b0-2
0.505
PET-UNK-bcc8fd08-5
0.505
PET-UNK-ad758083-5
0.505
PET-UNK-b566c0b0-1
0.500
MIC-UNK-54748b58-2
0.500
PET-UNK-6e612674-2
0.500
EDJ-MED-211392e3-2
0.500
PET-UNK-6e612674-10
0.500
PET-UNK-5ad1c31a-9
0.495
PET-UNK-5ad1c31a-3
0.495
EDJ-MED-b2a1399d-3
0.491
PET-UNK-49566573-3
0.491
PET-UNK-329a9ce9-5
0.491
PET-UNK-ee8352fa-1
0.490
PET-UNK-ab76d8f6-6
0.490
PET-UNK-2c6614b6-6
0.490
PET-UNK-329a9ce9-6
0.486
MIC-UNK-ea4eb352-9
0.485
ALF-EVA-82cf4849-4
0.485
PET-UNK-ab76d8f6-2
0.485
PET-UNK-ab76d8f6-5
0.485
PET-UNK-ab76d8f6-4
0.485
PET-UNK-b38839dc-30
0.485
PET-UNK-b78139fa-7
0.485
PET-UNK-5ad1c31a-4
0.481
PET-UNK-5ad1c31a-10
0.481
EDJ-MED-211392e3-3
0.481
PET-UNK-0d6841fa-5
0.477
ALP-POS-93b3621f-3
0.476
MAT-POS-96f51285-1
0.476
MAT-POS-24589f88-1
0.476
EDJ-MED-611d11e7-7
0.476
PET-UNK-6e612674-14
0.475
PET-UNK-6e612674-6
0.475
EDJ-MED-70ab3faf-1
0.475
MAT-POS-96f51285-2
0.471
PET-UNK-1b92fa34-7
0.471
EDJ-MED-611d11e7-1
0.471
PET-UNK-b566c0b0-6
0.471
PET-UNK-4b4f2bb7-4
0.471
PET-UNK-6e612674-12
0.467
PET-UNK-6e612674-4
0.467
ALF-EVA-82cf4849-11
0.467
PET-UNK-fe31e24a-4
0.467
EDJ-MED-d08626de-2
0.465
EDG-MED-0e5afe9d-3
0.465
PET-UNK-29afea89-2
0.465