Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(Cl)ccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 451.02 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 97.39 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-10
1.000
PET-UNK-6e612674-1
0.812
PET-UNK-6e612674-9
0.812
PET-UNK-6e612674-12
0.795
PET-UNK-6e612674-4
0.795
PET-UNK-6e612674-3
0.793
PET-UNK-6e612674-11
0.793
PET-UNK-1abb40f2-1
0.786
PET-UNK-1abb40f2-3
0.786
PET-UNK-6e612674-6
0.648
PET-UNK-6e612674-14
0.648
PET-UNK-b78139fa-14
0.579
PET-UNK-022eab87-2
0.553
MAT-POS-c88128cb-13
0.551
PET-UNK-b78139fa-15
0.542
PET-UNK-4b4f2bb7-5
0.540
ALP-POS-6f6ae286-2
0.540
MAT-POS-c88128cb-14
0.540
PET-UNK-b78139fa-18
0.537
PET-UNK-6e612674-8
0.533
PET-UNK-6e612674-16
0.533
PET-UNK-6e612674-5
0.529
PET-UNK-6e612674-13
0.529
ALP-POS-1cbc2fae-1
0.526
MAT-POS-806462de-1
0.526
MAT-POS-806462de-2
0.526
PET-UNK-ab76d8f6-1
0.524
EDJ-MED-211392e3-2
0.524
PET-UNK-6e612674-7
0.519
PET-UNK-6e612674-15
0.519
LUO-POS-c9faae85-1
0.519
PET-UNK-b78139fa-12
0.515
ALP-POS-1cbc2fae-2
0.515
MIC-UNK-ea4eb352-1
0.510
EDJ-MED-211392e3-1
0.510
PET-UNK-1abb40f2-4
0.505
PET-UNK-1abb40f2-2
0.505
EDJ-MED-211392e3-3
0.505
PET-UNK-4b4f2bb7-7
0.500
PET-UNK-b78139fa-16
0.500
PET-UNK-b78139fa-17
0.500
PET-UNK-f9b7ae87-5
0.495
PET-UNK-4b4f2bb7-9
0.495
MAT-POS-c88128cb-12
0.495
EDJ-MED-c3ea9889-2
0.490
PET-UNK-b78139fa-11
0.480
PET-UNK-4b4f2bb7-3
0.476
MIC-UNK-54748b58-2
0.468
PET-UNK-b566c0b0-1
0.467
ALP-POS-f1807566-3
0.466
PET-UNK-c0891748-3
0.466
PET-UNK-c0891748-9
0.466
EDJ-MED-f9b78f78-5
0.464
PET-UNK-5ad1c31a-10
0.464
PET-UNK-5ad1c31a-4
0.464
PET-UNK-5ad1c31a-9
0.464
PET-UNK-5ad1c31a-3
0.464
EDG-MED-10fcb19e-2
0.463
PET-UNK-7bb24635-2
0.463
MAT-POS-c88128cb-11
0.462
PET-UNK-4b4f2bb7-6
0.462
PET-UNK-4b4f2bb7-8
0.462
PET-UNK-7bb24635-3
0.458
PET-UNK-5d7c542f-1
0.457
ALP-POS-6f6ae286-3
0.457
MIC-UNK-7f86385f-2
0.450
EDJ-MED-6bf93aa8-1
0.450
PET-UNK-5d7c542f-2
0.449
PET-UNK-b78139fa-10
0.447
MAT-POS-c88128cb-15
0.447
PET-UNK-09a29654-5
0.446
MIC-UNK-7f86385f-1
0.445
PET-UNK-ad758083-5
0.445
EDJ-MED-1b46f08e-1
0.445
PET-UNK-4b4f2bb7-2
0.444
PET-UNK-b38839dc-28
0.444
ALP-POS-93b3621f-4
0.444
PET-UNK-7bb24635-1
0.444
PET-UNK-f9b7ae87-8
0.444
EDG-MED-b8f93667-3
0.443
PET-UNK-1b92fa34-5
0.442
MAT-POS-c7771779-2
0.442
MAT-POS-89e65850-1
0.442
PET-UNK-b78139fa-13
0.441
EDJ-MED-c3ea9889-7
0.440
PET-UNK-81b485b5-6
0.439
PET-UNK-81b485b5-20
0.439
MIC-UNK-7f86385f-3
0.439
PET-UNK-ab76d8f6-3
0.438
MIC-UNK-ea4eb352-4
0.437
EDG-MED-b8f93667-4
0.435
PET-UNK-09a29654-6
0.435
EDJ-MED-d08626de-2
0.433
PET-UNK-29afea89-2
0.433
EDG-MED-0e5afe9d-3
0.433
EDJ-MED-d08626de-1
0.433
MAR-UCB-6ab2ec87-3
0.431
PET-UNK-b38839dc-29
0.431
EDJ-MED-70ab3faf-2
0.430
MAT-POS-d8472c4f-3
0.429