Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3cc(F)ccc23)C1 |
MW: | 433.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-ff046148-4
0.785
PET-UNK-ff046148-2
0.758
PET-UNK-03fd2068-3
0.753
PET-UNK-ff046148-3
0.753
ALP-POS-6f6ae286-6
0.750
BEN-DND-f06bfa8e-3
0.750
EDJ-MED-ede277f6-10
0.747
PET-UNK-03fd2068-6
0.739
EDJ-MED-be9e6f63-2
0.735
EDJ-MED-7889e8da-2
0.735
MAT-POS-24589f88-2
0.730
MAT-POS-24589f88-3
0.730
MAT-POS-dd3ad2b5-4
0.730
EDJ-MED-ede277f6-1
0.730
ALP-POS-6f6ae286-4
0.713
PET-UNK-f4e47ebd-10
0.711
EDJ-MED-0186a59b-1
0.691
ALP-POS-6f6ae286-5
0.691
EDJ-MED-7889e8da-1
0.691
BEN-DND-f06bfa8e-2
0.691
PET-UNK-b38839dc-7
0.688
PET-UNK-f4e47ebd-12
0.684
PET-UNK-b38839dc-8
0.660
PET-UNK-f4e47ebd-9
0.660
EDJ-MED-ede277f6-4
0.657
FRA-DIA-6238d354-2
0.653
EDJ-MED-ede277f6-7
0.647
PET-UNK-f4e47ebd-11
0.626
PET-UNK-7f7e354d-4
0.625
PET-UNK-b1ef24dc-28
0.625
EDJ-MED-841e0cf0-5
0.622
EDJ-MED-841e0cf0-7
0.622
EDJ-MED-670ad2ee-5
0.622
EDJ-MED-670ad2ee-6
0.622
EDJ-MED-670ad2ee-9
0.622
EDJ-MED-670ad2ee-10
0.622
MAT-POS-4223bc15-6
0.619
EDJ-MED-d1555997-1
0.619
EDJ-MED-670ad2ee-8
0.616
EDJ-MED-841e0cf0-6
0.616
EDJ-MED-670ad2ee-7
0.616
MAT-POS-81ae2990-3
0.615
EDJ-MED-d1555997-2
0.615
PET-UNK-b1ef24dc-27
0.615
PET-UNK-b38839dc-6
0.615
PET-UNK-e274cad4-3
0.608
PET-UNK-b1ef24dc-26
0.608
BRU-THA-d60fe444-1
0.606
PET-UNK-e274cad4-8
0.604
ROB-CAM-4c532489-1
0.602
MAT-POS-4223bc15-1
0.602
MAT-POS-4223bc15-3
0.602
PET-UNK-1e13ef09-1
0.598
PET-UNK-b1ef24dc-25
0.598
MAT-POS-dd1fff26-2
0.596
MAT-POS-dd1fff26-1
0.596
MAT-POS-5cd9ea36-10
0.596
PET-UNK-d61f3ea6-2
0.596
MAT-POS-4223bc15-2
0.596
MAT-POS-4223bc15-7
0.594
MAT-POS-5c19d660-1
0.593
EDJ-MED-7889e8da-4
0.592
EDJ-MED-be9e6f63-4
0.592
PET-UNK-af70882d-2
0.592
BRU-THA-98e973b9-1
0.590
EDJ-MED-ede277f6-12
0.587
ALF-EVA-07677224-2
0.587
PET-UNK-de87a406-1
0.587
PET-UNK-c671f938-1
0.584
PET-UNK-c671f938-5
0.584
BEN-DND-32596b04-7
0.584
EDJ-MED-378a25ea-9
0.583
EDJ-MED-7889e8da-6
0.583
EDJ-MED-76744c27-5
0.583
PET-UNK-af70882d-3
0.583
PET-UNK-af70882d-4
0.583
MAT-POS-5cd9ea36-19
0.583
EDJ-MED-7f6e5b75-1
0.583
ANN-CHE-e1757302-2
0.581
EDJ-MED-4fff0a85-2
0.581
MAT-POS-5cd9ea36-17
0.578
MAT-POS-4223bc15-5
0.578
MAT-POS-4223bc15-15
0.578
MAT-POS-5cd9ea36-23
0.575
MAT-POS-4223bc15-13
0.574
MAT-POS-4223bc15-29
0.573
MAT-POS-5cd9ea36-24
0.573
EDJ-MED-76744c27-3
0.573
MAT-POS-5cd9ea36-4
0.573
EDJ-MED-ede277f6-2
0.573
MAT-POS-c7726e07-7
0.573
EDJ-MED-378a25ea-25
0.573
EDJ-MED-be9e6f63-3
0.573
MAT-POS-c7726e07-8
0.573
BEN-DND-32596b04-8
0.571
PET-UNK-b38839dc-10
0.571
MAT-POS-81ae2990-6
0.569
EDJ-MED-1981ceba-2
0.569
EDJ-MED-378a25ea-21
0.568
MAT-POS-5cd9ea36-20
0.567