Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(C)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 509.05 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 122.74 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-15
1.000
PET-UNK-6e612674-6
0.798
PET-UNK-6e612674-14
0.798
PET-UNK-6e612674-16
0.781
PET-UNK-6e612674-8
0.781
PET-UNK-6e612674-5
0.747
PET-UNK-6e612674-13
0.747
EDG-MED-b8f93667-4
0.719
PET-UNK-1abb40f2-2
0.705
PET-UNK-1abb40f2-4
0.705
PET-UNK-6e612674-3
0.677
PET-UNK-6e612674-11
0.677
EDJ-MED-211392e3-2
0.670
EDG-MED-b8f93667-2
0.645
EDG-MED-b8f93667-8
0.596
EDJ-MED-b2a1399d-2
0.593
EDJ-MED-b2a1399d-1
0.587
EDJ-MED-c3ea9889-3
0.587
EDG-MED-b8f93667-6
0.587
EDJ-MED-70ab3faf-2
0.583
EDJ-MED-dac03e7f-1
0.565
MAT-POS-c88128cb-14
0.562
EDJ-MED-dac03e7f-3
0.560
EDJ-MED-dac03e7f-2
0.557
EDJ-MED-dac03e7f-4
0.547
EDJ-MED-93390d0c-3
0.537
PET-UNK-6e612674-4
0.527
PET-UNK-6e612674-12
0.527
EDG-MED-b8f93667-3
0.523
PET-UNK-6e612674-2
0.519
PET-UNK-6e612674-10
0.519
MIC-UNK-54748b58-2
0.518
EDJ-MED-6bf93aa8-1
0.514
PET-UNK-5ad1c31a-3
0.513
PET-UNK-5ad1c31a-4
0.513
PET-UNK-5ad1c31a-10
0.513
PET-UNK-5ad1c31a-9
0.513
PET-UNK-b78139fa-14
0.509
MIC-UNK-7f86385f-1
0.509
MIC-UNK-7f86385f-2
0.500
EDJ-MED-211392e3-3
0.500
LUO-POS-c9faae85-1
0.500
EDJ-MED-1b46f08e-1
0.496
EDJ-MED-c3ea9889-5
0.495
ALP-POS-6f6ae286-2
0.491
PET-UNK-6e612674-1
0.491
PET-UNK-6e612674-9
0.491
PET-UNK-4b4f2bb7-5
0.491
MAT-POS-83f73d0a-3
0.491
MIC-UNK-7f86385f-4
0.487
EDJ-MED-93390d0c-2
0.486
PET-UNK-ab76d8f6-1
0.478
PET-UNK-b78139fa-15
0.477
MIC-UNK-7f86385f-3
0.475
EDG-MED-b8f93667-1
0.475
PET-UNK-03fd2068-9
0.474
PET-UNK-022eab87-2
0.472
PET-UNK-b78139fa-18
0.472
MIC-UNK-7f86385f-5
0.471
PET-UNK-c65ea24c-1
0.470
PET-UNK-1abb40f2-3
0.468
EDJ-MED-f9b78f78-1
0.468
PET-UNK-1abb40f2-1
0.468
EDG-MED-10fcb19e-2
0.461
PET-UNK-09a29654-5
0.458
PET-UNK-4b4f2bb7-7
0.455
PET-UNK-b78139fa-12
0.455
PET-UNK-b78139fa-17
0.454
EDJ-MED-923a35c2-1
0.452
FRA-DIA-6238d354-1
0.452
MIC-UNK-ea4eb352-1
0.450
PET-UNK-4b4f2bb7-9
0.450
EDJ-MED-211392e3-1
0.450
EDG-MED-b8f93667-7
0.450
EDJ-MED-c3ea9889-2
0.447
EDJ-MED-ce467fd5-3
0.446
PET-UNK-b566c0b0-9
0.445
PET-UNK-9bf1291a-1
0.442
MIC-UNK-ea4eb352-2
0.442
ALP-POS-5290f14d-1
0.442
PET-UNK-e9bc7c59-11
0.442
EDG-MED-b8f93667-5
0.442
PET-UNK-c65ea24c-7
0.442
MAT-POS-c88128cb-3
0.441
LUO-POS-e3baa4d7-1
0.441
PET-UNK-b78139fa-16
0.440
PET-UNK-c65ea24c-13
0.440
MAT-POS-96f51285-2
0.439
EDJ-MED-611d11e7-1
0.439
PET-UNK-f4e47ebd-24
0.439
EDJ-MED-41558c53-8
0.438
EDG-MED-ee636701-1
0.437
PET-UNK-6da3dcd8-18
0.437
EDJ-MED-41558c53-10
0.436
EDJ-MED-70ab3faf-3
0.436
PET-UNK-4b4f2bb7-3
0.435
PET-UNK-09a29654-6
0.434
PET-UNK-4b4f2bb7-8
0.434
PET-UNK-b566c0b0-2
0.431
ALP-POS-6f6ae286-3
0.430