Molecular Properties | |
SMILES: | CC(C)(C#N)CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3cc(F)ccc23)C1 |
MW: | 500.11 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-ff046148-4
0.780
MAT-POS-bf364d7a-6
0.772
MAT-POS-bf364d7a-5
0.772
PET-UNK-af70882d-1
0.772
MAT-POS-5cd9ea36-1
0.772
EDJ-MED-76744c27-1
0.772
PET-UNK-03fd2068-4
0.753
EDJ-MED-be9e6f63-2
0.750
EDJ-MED-7889e8da-2
0.750
PET-UNK-ff046148-2
0.738
ALP-POS-6f6ae286-4
0.729
EDJ-MED-ede277f6-10
0.713
BEN-DND-f06bfa8e-3
0.698
ALP-POS-6f6ae286-6
0.698
EDJ-MED-ede277f6-1
0.697
PET-UNK-de87a406-1
0.654
EDJ-MED-7f6e5b75-1
0.651
EDJ-MED-4fff0a85-2
0.633
EDJ-MED-ede277f6-4
0.631
EDJ-MED-0186a59b-1
0.630
BEN-DND-f06bfa8e-2
0.630
EDJ-MED-7889e8da-1
0.630
ALP-POS-6f6ae286-5
0.630
EDJ-MED-76744c27-2
0.622
EDJ-MED-76744c27-7
0.622
EDJ-MED-7889e8da-4
0.615
EDJ-MED-be9e6f63-4
0.615
MAT-POS-5cd9ea36-24
0.611
MAT-POS-4223bc15-6
0.610
EDJ-MED-ede277f6-7
0.607
BRU-THA-d60fe444-1
0.598
EDJ-MED-378a25ea-9
0.591
EDJ-MED-7889e8da-6
0.591
PET-UNK-af70882d-3
0.591
EDJ-MED-76744c27-5
0.591
EDJ-MED-378a25ea-1
0.590
MAT-POS-b4d6b7fc-9
0.588
MAT-POS-81ae2990-9
0.588
MAT-POS-5c19d660-1
0.586
PET-UNK-af70882d-2
0.586
JOH-SUS-07b743f6-6
0.584
MAT-POS-c7726e07-8
0.581
MAT-POS-c7726e07-7
0.581
EDJ-MED-be9e6f63-1
0.581
EDJ-MED-be9e6f63-3
0.581
EDJ-MED-378a25ea-25
0.581
EDJ-MED-76744c27-6
0.580
MAT-POS-dc2604c4-4
0.580
MAT-POS-81ae2990-3
0.579
PET-UNK-af70882d-4
0.577
EDJ-MED-378a25ea-18
0.576
EDJ-MED-378a25ea-21
0.576
ANN-CHE-e1757302-2
0.575
MAT-POS-22373164-3
0.575
JOH-SUS-07b743f6-3
0.574
MAT-POS-4223bc15-5
0.573
EDJ-MED-378a25ea-11
0.573
EDJ-MED-378a25ea-23
0.571
EDJ-MED-4f4dd660-2
0.571
MAT-POS-22373164-1
0.571
EDJ-MED-378a25ea-7
0.571
MAT-POS-22373164-2
0.571
PET-UNK-d61f3ea6-3
0.571
MAT-POS-e194df51-1
0.570
MAT-POS-e194df51-2
0.570
MAT-POS-dc2604c4-1
0.570
PET-UNK-03fd2068-3
0.570
JOH-SUS-07b743f6-1
0.569
EDJ-MED-76744c27-3
0.568
EDJ-MED-378a25ea-33
0.566
ALP-POS-395d3f9b-1
0.565
MAT-POS-5cd9ea36-8
0.564
JOH-SUS-07b743f6-2
0.564
MAT-POS-81ae2990-6
0.564
PET-UNK-c671f938-1
0.564
PET-UNK-03fd2068-6
0.564
PET-UNK-c671f938-5
0.564
EDJ-MED-4f4dd660-4
0.562
MAT-POS-22373164-4
0.562
MAT-POS-5cd9ea36-9
0.561
MAT-POS-5cd9ea36-11
0.561
MAT-POS-5cd9ea36-10
0.561
MAT-POS-4223bc15-4
0.561
MAT-POS-dd1fff26-1
0.561
MAT-POS-dd1fff26-2
0.561
ALF-EVA-0e90125c-4
0.561
EDJ-MED-378a25ea-29
0.561
EDJ-MED-378a25ea-31
0.561
PET-UNK-d61f3ea6-2
0.560
ALP-POS-07e1ed01-2
0.559
PET-UNK-19e211a9-5
0.558
PET-UNK-19e211a9-6
0.558
PET-UNK-615ad708-2
0.558
PET-UNK-ff046148-1
0.558
PET-UNK-615ad708-5
0.558
ALF-EVA-07677224-3
0.558
EDJ-MED-378a25ea-17
0.557
EDJ-MED-378a25ea-27
0.557
EDJ-MED-4fff0a85-4
0.557
MAT-POS-bf364d7a-3
0.557