Molecular Properties | |
SMILES: | CNS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1 |
MW: | 448.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-10
1.000
EDJ-MED-841e0cf0-7
1.000
PET-UNK-03fd2068-3
0.826
EDJ-MED-670ad2ee-7
0.789
EDJ-MED-670ad2ee-8
0.789
EDJ-MED-841e0cf0-6
0.789
EDJ-MED-841e0cf0-5
0.778
EDJ-MED-670ad2ee-5
0.778
EDJ-MED-670ad2ee-6
0.778
MAT-POS-4223bc15-1
0.756
MAT-POS-81ae2990-3
0.724
MAT-POS-81ae2990-6
0.703
MAT-POS-81ae2990-9
0.700
MAT-POS-b4d6b7fc-9
0.700
EDJ-MED-009f762b-5
0.673
PET-UNK-162c14b2-2
0.667
FRA-DIA-6238d354-2
0.663
MAT-POS-5cd9ea36-4
0.646
MAT-POS-4223bc15-29
0.646
MAT-POS-5cd9ea36-17
0.636
EDJ-MED-009f762b-1
0.625
MAT-POS-24589f88-16
0.625
PET-UNK-03fd2068-4
0.622
BEN-DND-32596b04-5
0.621
MAT-POS-5cd9ea36-2
0.620
EDJ-MED-009f762b-4
0.619
MAT-POS-61f37a1a-13
0.619
MAT-POS-64942dd0-2
0.616
PET-UNK-03fd2068-5
0.616
BEN-DND-32596b04-3
0.615
MAT-POS-dd3ad2b5-4
0.615
MAT-POS-24589f88-2
0.615
MAT-POS-24589f88-3
0.615
EDJ-MED-1b5395f9-4
0.612
EDJ-MED-1b5395f9-5
0.612
EDJ-MED-1b5395f9-6
0.612
EDJ-MED-343bb62d-3
0.608
MAT-POS-5cd9ea36-3
0.608
EDJ-MED-009f762b-2
0.607
MAT-POS-24589f88-5
0.607
EDJ-MED-009f762b-3
0.607
MAT-POS-61f37a1a-5
0.607
PET-UNK-f4e47ebd-9
0.602
BEN-DND-32596b04-9
0.600
MAT-POS-4223bc15-6
0.596
MAT-POS-4223bc15-2
0.590
PET-UNK-d61f3ea6-2
0.590
BEN-DND-32596b04-6
0.589
DAR-DIA-5e50e037-1
0.585
BRU-THA-98e973b9-1
0.584
BRU-THA-d60fe444-1
0.584
PET-UNK-b38839dc-7
0.583
MAT-POS-4223bc15-3
0.580
MAT-POS-c88128cb-1
0.579
EDJ-MED-76744c27-5
0.577
PET-UNK-ff046148-4
0.575
MAT-POS-4223bc15-5
0.573
EDJ-MED-378a25ea-10
0.573
PET-UNK-1b92fa34-2
0.571
MAT-POS-4223bc15-13
0.569
ALF-EVA-07677224-2
0.566
EDJ-MED-1981ceba-3
0.566
PET-UNK-b38839dc-10
0.566
PET-UNK-de87a406-1
0.566
PET-UNK-f4e47ebd-10
0.566
ALF-EVA-07677224-10
0.565
EDJ-MED-1981ceba-2
0.563
BEN-DND-32596b04-7
0.563
MAT-POS-78ab8081-6
0.562
MAT-POS-5c19d660-2
0.562
PET-UNK-19e211a9-10
0.562
EDJ-MED-7f6e5b75-1
0.562
PET-UNK-af70882d-4
0.562
PET-UNK-af70882d-3
0.562
MAT-POS-5cd9ea36-19
0.562
MAT-POS-5cd9ea36-20
0.562
MAT-POS-5c19d660-3
0.561
MAT-POS-4223bc15-30
0.561
ALF-EVA-0e90125c-4
0.561
PET-UNK-b1ef24dc-27
0.560
MAT-POS-4223bc15-15
0.558
PET-UNK-f4e47ebd-11
0.558
PET-UNK-b38839dc-8
0.558
MAT-POS-4223bc15-7
0.558
ALF-EVA-07677224-3
0.557
MAT-POS-5cd9ea36-16
0.557
PET-UNK-d61f3ea6-3
0.557
PET-UNK-ff046148-2
0.556
MAT-POS-5cd9ea36-23
0.556
PET-UNK-ff046148-3
0.555
MAT-POS-78ab8081-4
0.553
MAT-POS-78ab8081-5
0.553
EDJ-MED-378a25ea-2
0.553
RAL-THA-ee48ba5f-1
0.552
MAT-POS-5cd9ea36-24
0.552
EDJ-MED-fa7708b3-1
0.552
PET-UNK-d61f3ea6-1
0.552
EDJ-MED-76744c27-3
0.552
EDJ-MED-1981ceba-5
0.551
BEN-DND-32596b04-2
0.551