Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 495.03 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 131.53 |
cLogP: | 2.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-3
1.000
PET-UNK-6e612674-2
0.793
PET-UNK-6e612674-10
0.793
PET-UNK-6e612674-12
0.785
PET-UNK-6e612674-4
0.785
PET-UNK-6e612674-1
0.742
PET-UNK-6e612674-9
0.742
PET-UNK-1abb40f2-3
0.717
PET-UNK-1abb40f2-1
0.717
MAT-POS-c88128cb-14
0.705
EDJ-MED-211392e3-2
0.684
PET-UNK-6e612674-15
0.677
PET-UNK-6e612674-7
0.677
EDG-MED-b8f93667-4
0.583
EDJ-MED-70ab3faf-2
0.578
EDG-MED-b8f93667-2
0.554
PET-UNK-6e612674-8
0.536
PET-UNK-6e612674-16
0.536
PET-UNK-b78139fa-14
0.534
EDJ-MED-93390d0c-3
0.533
EDJ-MED-b2a1399d-2
0.532
EDJ-MED-c3ea9889-3
0.527
EDG-MED-b8f93667-6
0.527
EDJ-MED-b2a1399d-1
0.527
EDG-MED-b8f93667-8
0.522
EDJ-MED-dac03e7f-1
0.521
EDJ-MED-f9b78f78-1
0.519
PET-UNK-6e612674-6
0.519
PET-UNK-6e612674-14
0.519
PET-UNK-022eab87-2
0.510
MAT-POS-c88128cb-13
0.509
EDJ-MED-6bf93aa8-1
0.509
EDJ-MED-211392e3-3
0.509
MIC-UNK-7f86385f-2
0.509
MIC-UNK-7f86385f-1
0.505
EDJ-MED-1b46f08e-1
0.505
EDJ-MED-dac03e7f-4
0.504
PET-UNK-4b4f2bb7-5
0.500
PET-UNK-b78139fa-15
0.500
ALP-POS-6f6ae286-2
0.500
EDJ-MED-dac03e7f-2
0.500
MIC-UNK-7f86385f-3
0.496
PET-UNK-b78139fa-18
0.495
EDJ-MED-dac03e7f-3
0.492
PET-UNK-6e612674-13
0.491
PET-UNK-6e612674-5
0.491
EDJ-MED-c3ea9889-5
0.491
PET-UNK-ab76d8f6-1
0.486
MAT-POS-806462de-2
0.486
MAT-POS-806462de-1
0.486
ALP-POS-1cbc2fae-1
0.486
MIC-UNK-7f86385f-4
0.483
MIC-UNK-7f86385f-5
0.479
PET-UNK-b78139fa-12
0.477
ALP-POS-1cbc2fae-2
0.477
MIC-UNK-ea4eb352-1
0.472
EDJ-MED-211392e3-1
0.472
EDG-MED-10fcb19e-2
0.469
PET-UNK-1abb40f2-4
0.468
PET-UNK-1abb40f2-2
0.468
EDJ-MED-93390d0c-2
0.468
PET-UNK-09a29654-5
0.466
PET-UNK-4b4f2bb7-7
0.464
PET-UNK-b78139fa-16
0.462
PET-UNK-b78139fa-17
0.462
PET-UNK-f9b7ae87-5
0.459
PET-UNK-4b4f2bb7-9
0.459
MAT-POS-c88128cb-12
0.459
PET-UNK-b78139fa-11
0.445
PET-UNK-4b4f2bb7-3
0.442
PET-UNK-09a29654-6
0.442
PET-UNK-0d6841fa-5
0.441
PET-UNK-ad758083-5
0.440
PET-UNK-b566c0b0-2
0.439
MIC-UNK-54748b58-2
0.436
PET-UNK-b566c0b0-1
0.434
EDJ-MED-611d11e7-1
0.434
MAT-POS-96f51285-2
0.434
ALP-POS-f1807566-3
0.432
PET-UNK-c0891748-3
0.432
PET-UNK-c0891748-9
0.432
PET-UNK-5ad1c31a-3
0.432
PET-UNK-5ad1c31a-10
0.432
PET-UNK-5ad1c31a-4
0.432
PET-UNK-5ad1c31a-9
0.432
EDJ-MED-70ab3faf-3
0.431
PET-UNK-03fd2068-9
0.431
PET-UNK-7bb24635-2
0.431
MAT-POS-c88128cb-11
0.430
PET-UNK-4b4f2bb7-8
0.429
PET-UNK-09a29654-4
0.429
PET-UNK-4b4f2bb7-6
0.429
PET-UNK-e9bc7c59-8
0.429
PET-UNK-c65ea24c-1
0.427
PET-UNK-b78139fa-10
0.427
PET-UNK-7bb24635-3
0.426
PET-UNK-5d7c542f-1
0.425
ALP-POS-6f6ae286-3
0.425
ERI-UCB-8d4e5055-3
0.423
MAT-POS-7ddaf7de-2
0.423