Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CN(C)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 449.06 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.6 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-13
1.000
PET-UNK-6e612674-6
0.816
PET-UNK-6e612674-14
0.816
PET-UNK-6e612674-7
0.747
PET-UNK-6e612674-15
0.747
PET-UNK-1abb40f2-2
0.739
PET-UNK-1abb40f2-4
0.739
PET-UNK-6e612674-16
0.724
PET-UNK-6e612674-8
0.724
EDG-MED-b8f93667-3
0.713
PET-UNK-b78139fa-14
0.699
PET-UNK-4b4f2bb7-5
0.670
ALP-POS-6f6ae286-2
0.670
PET-UNK-6e612674-1
0.670
PET-UNK-6e612674-9
0.670
EDG-MED-b8f93667-1
0.638
PET-UNK-03fd2068-9
0.596
ALP-POS-6f6ae286-3
0.594
PET-UNK-5d7c542f-1
0.594
PET-UNK-b566c0b0-1
0.588
EDJ-MED-3bfd841e-1
0.579
EDG-MED-b8f93667-7
0.578
PET-UNK-b566c0b0-9
0.574
PET-UNK-f9b7ae87-5
0.573
EDG-MED-b8f93667-5
0.569
PET-UNK-81b485b5-6
0.558
PET-UNK-81b485b5-20
0.558
EDJ-MED-dac03e7f-5
0.558
PET-UNK-6da3dcd8-18
0.557
MAT-POS-c88128cb-13
0.553
EDJ-MED-dac03e7f-7
0.553
EDJ-MED-dac03e7f-6
0.549
PET-UNK-6da3dcd8-15
0.548
EDJ-MED-dac03e7f-8
0.544
MIC-UNK-54748b58-2
0.541
PET-UNK-03fd2068-11
0.541
PET-UNK-5ad1c31a-3
0.536
PET-UNK-5ad1c31a-4
0.536
PET-UNK-5ad1c31a-10
0.536
PET-UNK-5ad1c31a-9
0.536
PET-UNK-407a74a5-16
0.534
PET-UNK-6e612674-2
0.529
PET-UNK-6e612674-10
0.529
PET-UNK-407a74a5-11
0.528
PET-UNK-03fd2068-8
0.528
EDG-MED-b8f93667-4
0.523
PET-UNK-b78139fa-16
0.520
PET-UNK-407a74a5-17
0.519
PET-UNK-407a74a5-9
0.519
PET-UNK-b78139fa-15
0.515
MAT-POS-83f73d0a-3
0.515
PET-UNK-ab76d8f6-1
0.514
PET-UNK-4b4f2bb7-6
0.509
LUO-POS-c9faae85-1
0.509
PET-UNK-4b4f2bb7-7
0.505
PET-UNK-bcc8fd08-3
0.505
PET-UNK-bcc8fd08-6
0.504
EDJ-MED-211392e3-2
0.500
PET-UNK-407a74a5-14
0.500
PET-UNK-022eab87-2
0.495
PET-UNK-6e612674-3
0.491
PET-UNK-6e612674-11
0.491
PET-UNK-6da3dcd8-12
0.491
PET-UNK-1abb40f2-1
0.491
PET-UNK-407a74a5-15
0.491
PET-UNK-1abb40f2-3
0.491
MIC-UNK-ea4eb352-1
0.486
EDJ-MED-211392e3-1
0.486
EDJ-MED-211392e3-3
0.482
PET-UNK-6e612674-4
0.482
PET-UNK-6e612674-12
0.482
PET-UNK-b78139fa-18
0.481
PET-UNK-407a74a5-10
0.477
PET-UNK-b78139fa-12
0.477
EDJ-MED-c3ea9889-6
0.477
PET-UNK-407a74a5-18
0.477
EDG-MED-b8f93667-2
0.475
PET-UNK-407a74a5-12
0.473
PET-UNK-4b4f2bb7-9
0.472
PET-UNK-7bb24635-2
0.469
PET-UNK-6da3dcd8-14
0.469
PET-UNK-6da3dcd8-11
0.469
PET-UNK-4b4f2bb7-3
0.468
PET-UNK-407a74a5-13
0.468
MAT-POS-86c60949-1
0.467
PET-UNK-2c6614b6-5
0.467
EDJ-MED-b7309adf-1
0.467
PET-UNK-b78139fa-5
0.467
JOH-UNI-06d7cc04-1
0.466
PET-UNK-b78139fa-17
0.462
MAT-POS-c88128cb-3
0.461
LUO-POS-e3baa4d7-1
0.461
PET-UNK-c65ea24c-13
0.460
BEN-DND-a88ffd65-6
0.458
PET-UNK-6da3dcd8-13
0.457
EDJ-MED-c3ea9889-2
0.455
PET-UNK-4b4f2bb7-8
0.455
PET-UNK-9bf1291a-2
0.455
PET-UNK-09a29654-5
0.453
PET-UNK-c65ea24c-1
0.452