Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3c(F)ncc4ccccc34)C2)CC1 |
MW: | 498.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
Hetero_hetero
JOH-UNI-3267ef54-3
0.784
JOH-UNI-2440d4f3-1
0.779
JOH-UNI-7e3f498e-2
0.777
MAT-POS-e194df51-1
0.667
MAT-POS-dc2604c4-1
0.667
JOH-UNI-2440d4f3-4
0.667
MAT-POS-e194df51-2
0.667
JOH-UNI-7e3f498e-1
0.660
JOH-UNI-3267ef54-1
0.642
MAT-POS-4223bc15-12
0.634
JOH-UNI-2440d4f3-2
0.625
MAT-POS-5cd9ea36-5
0.623
JOH-UNI-7e3f498e-3
0.622
MAT-POS-5cd9ea36-6
0.621
MAT-POS-bf364d7a-9
0.621
MAT-POS-bf364d7a-10
0.621
JOH-UNI-3267ef54-2
0.607
MAT-POS-5cd9ea36-7
0.602
MAT-POS-bf364d7a-11
0.602
MAT-POS-bf364d7a-12
0.602
MAT-POS-81ae2990-9
0.596
MAT-POS-b4d6b7fc-9
0.596
JOH-SUS-07b743f6-3
0.596
MAT-POS-777f5926-4
0.586
MAT-POS-777f5926-3
0.586
ALP-POS-07e1ed01-1
0.586
MAT-POS-dc2604c4-3
0.586
ALP-POS-07e1ed01-2
0.581
EDJ-MED-7889e8da-4
0.580
EDJ-MED-be9e6f63-4
0.580
PET-UNK-94036022-1
0.579
XIA-UNK-284f966f-1
0.579
PET-UNK-94036022-8
0.579
MAT-POS-81ae2990-8
0.578
EDJ-MED-7889e8da-2
0.578
EDJ-MED-be9e6f63-2
0.578
EDJ-MED-fb79a796-3
0.573
PET-UNK-9b053684-3
0.573
PET-UNK-615ad708-6
0.573
PET-UNK-9b053684-6
0.573
PET-UNK-615ad708-3
0.573
PET-UNK-19e211a9-2
0.565
MAT-POS-bfd29aac-2
0.565
ALE-ALC-b4762a05-1
0.564
ALE-ALC-1b189c66-1
0.564
ALE-ALC-3d276b90-1
0.564
EDJ-MED-378a25ea-6
0.562
EDJ-MED-378a25ea-12
0.559
PET-UNK-c6bcc80b-1
0.557
PET-UNK-c6bcc80b-8
0.557
MAT-POS-5cd9ea36-9
0.557
MAT-POS-81ae2990-7
0.556
MAT-POS-b4d6b7fc-8
0.556
EDJ-MED-378a25ea-10
0.555
PET-UNK-19e211a9-5
0.554
PET-UNK-19e211a9-6
0.554
PET-UNK-19e211a9-7
0.554
PET-UNK-19e211a9-8
0.554
JOH-SUS-07b743f6-6
0.552
JOH-SUS-07b743f6-1
0.551
MAT-POS-c7726e07-7
0.550
MAT-POS-c7726e07-8
0.550
ALE-ALC-e1a61ec1-1
0.550
EDJ-MED-378a25ea-25
0.550
ALP-POS-6f6ae286-4
0.550
EDJ-MED-be9e6f63-3
0.550
MAT-POS-78ab8081-4
0.549
EDJ-MED-378a25ea-2
0.549
ALP-POS-c56c1477-1
0.548
BRU-THA-4b053743-1
0.548
PET-UNK-19e211a9-4
0.547
JOH-SUS-07b743f6-2
0.546
EDJ-MED-378a25ea-9
0.546
EDJ-MED-7889e8da-6
0.546
MAT-POS-97ec4bd1-2
0.545
MAT-POS-78ab8081-6
0.545
PET-UNK-19e211a9-9
0.545
PET-UNK-19e211a9-10
0.545
EDJ-MED-378a25ea-26
0.545
MAT-POS-e36d57d9-1
0.545
MAT-POS-2e8b2191-9
0.545
MAT-POS-22373164-4
0.545
EDJ-MED-378a25ea-4
0.545
EDJ-MED-378a25ea-30
0.544
MAT-POS-bfd29aac-1
0.542
PET-UNK-19e211a9-1
0.542
PET-UNK-19e211a9-3
0.542
PET-UNK-615ad708-1
0.542
PET-UNK-615ad708-4
0.542
EDJ-MED-378a25ea-11
0.542
MAT-POS-22373164-2
0.541
ALE-ALC-159be365-1
0.541
EDJ-MED-378a25ea-28
0.540
PET-UNK-615ad708-2
0.539
PET-UNK-ff046148-1
0.539
PET-UNK-615ad708-5
0.539
EDJ-MED-be9e6f63-1
0.537
MAT-POS-13080fc6-1
0.537
EDJ-MED-378a25ea-22
0.537
EDJ-MED-378a25ea-24
0.537