Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(Cl)ccc23)CN(C)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 465.03 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.6 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-6e612674-14
1.000
PET-UNK-6e612674-5
0.816
PET-UNK-6e612674-13
0.816
PET-UNK-6e612674-7
0.798
PET-UNK-6e612674-15
0.798
PET-UNK-6e612674-8
0.791
PET-UNK-6e612674-16
0.791
PET-UNK-1abb40f2-2
0.770
PET-UNK-1abb40f2-4
0.770
PET-UNK-6e612674-2
0.648
PET-UNK-6e612674-10
0.648
LUO-POS-c9faae85-1
0.616
EDG-MED-b8f93667-3
0.566
MIC-UNK-54748b58-2
0.558
EDJ-MED-c3ea9889-2
0.554
EDG-MED-b8f93667-4
0.554
PET-UNK-5ad1c31a-3
0.552
PET-UNK-5ad1c31a-10
0.552
PET-UNK-5ad1c31a-4
0.552
PET-UNK-5ad1c31a-9
0.552
PET-UNK-b78139fa-14
0.551
MAT-POS-83f73d0a-3
0.531
PET-UNK-4b4f2bb7-5
0.529
ALP-POS-6f6ae286-2
0.529
PET-UNK-6e612674-1
0.529
PET-UNK-6e612674-9
0.529
PET-UNK-6e612674-4
0.524
PET-UNK-6e612674-12
0.524
PET-UNK-6e612674-3
0.519
PET-UNK-6e612674-11
0.519
PET-UNK-b78139fa-15
0.515
PET-UNK-ab76d8f6-1
0.514
EDJ-MED-211392e3-2
0.514
PET-UNK-022eab87-2
0.510
PET-UNK-b78139fa-18
0.510
EDG-MED-b8f93667-1
0.509
PET-UNK-1abb40f2-1
0.505
PET-UNK-1abb40f2-3
0.505
EDG-MED-b8f93667-2
0.500
EDJ-MED-211392e3-3
0.495
PET-UNK-4b4f2bb7-7
0.490
PET-UNK-b78139fa-12
0.490
PET-UNK-b78139fa-17
0.490
MIC-UNK-ea4eb352-1
0.485
EDJ-MED-211392e3-1
0.485
PET-UNK-4b4f2bb7-9
0.485
PET-UNK-b78139fa-16
0.475
MAT-POS-c88128cb-3
0.473
LUO-POS-e3baa4d7-1
0.473
PET-UNK-c65ea24c-13
0.472
PET-UNK-03fd2068-9
0.468
PET-UNK-4b4f2bb7-3
0.467
PET-UNK-4b4f2bb7-8
0.467
PET-UNK-c65ea24c-1
0.464
PET-UNK-5d7c542f-1
0.462
ALP-POS-6f6ae286-3
0.462
PET-UNK-b78139fa-13
0.461
PET-UNK-b566c0b0-1
0.458
PET-UNK-c0891748-3
0.457
PET-UNK-c0891748-9
0.457
PET-UNK-b78139fa-11
0.457
EDG-MED-b8f93667-7
0.456
EDG-MED-b8f93667-8
0.456
EDJ-MED-c3ea9889-1
0.455
EDJ-MED-3bfd841e-1
0.455
EDG-MED-10fcb19e-2
0.455
EDJ-MED-6bf93aa8-1
0.455
PET-UNK-7bb24635-2
0.455
PET-UNK-5d7c542f-2
0.454
EDJ-MED-dac03e7f-5
0.453
EDJ-MED-dac03e7f-8
0.453
PET-UNK-4b4f2bb7-6
0.453
PET-UNK-b566c0b0-9
0.451
EDJ-MED-b2a1399d-2
0.451
MIC-UNK-7f86385f-1
0.450
ALP-POS-93b3621f-4
0.450
PET-UNK-7bb24635-3
0.450
EDJ-MED-dac03e7f-7
0.449
PET-UNK-f360ae44-1
0.448
PET-UNK-f360ae44-9
0.448
PET-UNK-9bf1291a-3
0.448
PET-UNK-c65ea24c-7
0.447
EDJ-MED-b2a1399d-1
0.447
EDJ-MED-c3ea9889-3
0.447
EDG-MED-b8f93667-5
0.447
EDG-MED-b8f93667-6
0.447
EDJ-MED-015fb6b4-1
0.446
MAT-POS-c88128cb-6
0.446
EDJ-MED-c3ea9889-7
0.446
EDJ-MED-dac03e7f-1
0.445
PET-UNK-f9b7ae87-5
0.444
PET-UNK-4b4f2bb7-4
0.443
MIC-UNK-7f86385f-2
0.442
PET-UNK-6da3dcd8-18
0.442
EDJ-MED-dac03e7f-3
0.442
EDJ-MED-dac03e7f-4
0.442
PET-UNK-9bf1291a-5
0.440
PET-UNK-fe31e24a-7
0.440
PET-UNK-09a29654-5
0.439
PET-UNK-b78139fa-10
0.438