Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CS(=O)(=O)Cc2cc(F)c(Cl)cc21 |
MW: | 452.04 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.58 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-1b92fa34-7
0.798
PET-UNK-1b92fa34-6
0.764
PET-UNK-03fd2068-10
0.624
PET-UNK-b78139fa-16
0.611
PET-UNK-1b92fa34-5
0.592
PET-UNK-b566c0b0-2
0.588
PET-UNK-b566c0b0-1
0.584
PET-UNK-329a9ce9-5
0.571
PET-UNK-329a9ce9-6
0.566
PET-UNK-03fd2068-7
0.564
MAT-POS-a5ef2d74-2
0.560
MAT-POS-ec6d90b7-4
0.560
EDJ-MED-611d11e7-4
0.560
PET-UNK-b566c0b0-6
0.554
PET-UNK-9bf1291a-2
0.549
PET-UNK-329a9ce9-7
0.537
PET-UNK-4b4f2bb7-6
0.534
PET-UNK-b566c0b0-3
0.533
EDJ-MED-841e0cf0-3
0.533
EDJ-MED-670ad2ee-3
0.533
EDJ-MED-923a35c2-5
0.533
PET-UNK-b566c0b0-5
0.529
EDJ-MED-923a35c2-4
0.524
PET-UNK-329a9ce9-8
0.518
PET-UNK-1b92fa34-4
0.515
PET-UNK-b566c0b0-4
0.514
PET-UNK-b566c0b0-8
0.514
PET-UNK-9bf1291a-4
0.505
EDJ-MED-923a35c2-2
0.505
PET-UNK-9b23ef84-1
0.495
MIC-UNK-ea4eb352-10
0.491
EDJ-MED-841e0cf0-2
0.491
EDJ-MED-670ad2ee-2
0.491
MAT-POS-c88128cb-12
0.481
PET-UNK-bcc8fd08-5
0.473
PET-UNK-bcc8fd08-2
0.472
PET-UNK-03fd2068-11
0.469
PET-UNK-0d6841fa-7
0.468
PET-UNK-c761fc18-8
0.467
PET-UNK-1b92fa34-2
0.467
PET-UNK-b78139fa-15
0.467
PET-UNK-f4e47ebd-29
0.464
PET-UNK-022eab87-2
0.462
PET-UNK-c761fc18-4
0.459
MIC-UNK-ea4eb352-12
0.458
PET-UNK-b78139fa-14
0.458
MIC-UNK-ea4eb352-9
0.455
PET-UNK-c0891748-3
0.454
PET-UNK-c0891748-9
0.454
VLA-UNK-a5257d84-1
0.449
PET-UNK-49566573-3
0.448
PET-UNK-0d6841fa-6
0.447
PET-UNK-ee8352fa-1
0.445
EDJ-MED-93390d0c-4
0.442
PET-UNK-9b23ef84-13
0.442
PET-UNK-9b23ef84-5
0.442
PET-UNK-9b23ef84-9
0.442
ALF-EVA-82cf4849-4
0.440
PET-UNK-f4e47ebd-28
0.439
EDJ-MED-946e547c-1
0.439
ALF-EVA-82cf4849-11
0.439
ALP-POS-fe871b40-11
0.436
NIR-THE-3fc2bec4-1
0.436
EDJ-MED-670ad2ee-11
0.436
EDJ-MED-670ad2ee-12
0.436
MAT-POS-993cdc78-2
0.436
MIC-UNK-ea4eb352-11
0.436
ALP-POS-fe871b40-12
0.436
MAT-POS-993cdc78-1
0.436
EDJ-MED-841e0cf0-8
0.436
PET-UNK-f4e47ebd-30
0.436
ALP-POS-93b3621f-3
0.434
MAT-POS-24589f88-1
0.432
EDJ-MED-611d11e7-7
0.432
MAT-POS-96f51285-1
0.432
MAT-POS-ec6d90b7-7
0.430
PET-UNK-b78139fa-17
0.430
EDJ-MED-611d11e7-6
0.430
MAT-POS-96f51285-5
0.430
MAT-POS-64942dd0-2
0.429
MAT-POS-96f51285-2
0.429
EDJ-MED-611d11e7-1
0.429
PET-UNK-03fd2068-5
0.429
PET-UNK-c0891748-11
0.427
PET-UNK-c0891748-5
0.427
PET-UNK-a7639856-1
0.426
PET-UNK-fe31e24a-4
0.425
ALF-EVA-82cf4849-13
0.422
EDG-MED-0e5afe9d-3
0.422
EDJ-MED-d08626de-1
0.422
PET-UNK-29afea89-2
0.422
EDJ-MED-d08626de-2
0.422
PET-UNK-49566573-4
0.421
PET-UNK-7bb24635-1
0.421
MAR-UCB-6ab2ec87-3
0.421
ALP-POS-6f6ae286-3
0.420
PET-UNK-5d7c542f-1
0.420
PET-UNK-f4e47ebd-31
0.419
EDG-MED-10fcb19e-5
0.419
PET-UNK-9bf1291a-3
0.418