Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(F)cc12)[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ccc(Cl)cc21 |
MW: | 459.08 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 4.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-841e0cf0-5
1.000
EDJ-MED-670ad2ee-6
1.000
PET-UNK-03fd2068-3
0.805
EDJ-MED-841e0cf0-7
0.778
EDJ-MED-670ad2ee-10
0.778
EDJ-MED-670ad2ee-9
0.778
EDJ-MED-670ad2ee-7
0.769
EDJ-MED-841e0cf0-6
0.769
EDJ-MED-670ad2ee-8
0.769
MAT-POS-4223bc15-3
0.756
MAT-POS-81ae2990-3
0.707
MAT-POS-b4d6b7fc-9
0.700
MAT-POS-81ae2990-9
0.700
MAT-POS-81ae2990-6
0.686
EDJ-MED-009f762b-5
0.673
PET-UNK-162c14b2-2
0.667
MAT-POS-4223bc15-15
0.653
MAT-POS-4223bc15-7
0.653
MAT-POS-4223bc15-8
0.637
MAT-POS-4223bc15-13
0.633
FRA-DIA-6238d354-2
0.629
MAT-POS-24589f88-16
0.625
EDJ-MED-009f762b-1
0.625
PET-UNK-03fd2068-4
0.622
MAT-POS-4223bc15-10
0.621
MAT-POS-61f37a1a-13
0.619
EDJ-MED-009f762b-4
0.619
ALF-EVA-0e90125c-3
0.610
MAT-POS-4223bc15-9
0.608
MAT-POS-61f37a1a-2
0.608
EDJ-MED-009f762b-2
0.607
EDJ-MED-009f762b-3
0.607
MAT-POS-61f37a1a-5
0.607
MAT-POS-24589f88-5
0.607
PET-UNK-f4e47ebd-9
0.602
PET-UNK-03fd2068-5
0.600
MAT-POS-64942dd0-2
0.600
MAT-POS-24589f88-3
0.598
MAT-POS-dd3ad2b5-4
0.598
MAT-POS-24589f88-2
0.598
EDJ-MED-1b5395f9-4
0.596
EDJ-MED-1b5395f9-5
0.596
EDJ-MED-1b5395f9-6
0.596
PET-UNK-ff046148-4
0.590
ALF-EVA-07677224-4
0.585
BRU-THA-d60fe444-1
0.584
BRU-THA-98e973b9-1
0.584
MAT-POS-4223bc15-1
0.580
MAT-POS-4223bc15-6
0.580
JOH-SUS-07b743f6-7
0.575
JOH-SUS-07b743f6-5
0.575
MAT-POS-4223bc15-2
0.574
PET-UNK-d61f3ea6-2
0.574
MAT-POS-5cd9ea36-2
0.573
PET-UNK-1b92fa34-2
0.571
PET-UNK-ff046148-2
0.570
JOH-SUS-07b743f6-4
0.570
PET-UNK-b38839dc-7
0.567
EDJ-MED-76744c27-3
0.567
ALF-EVA-07677224-2
0.566
BEN-DND-f06bfa8e-3
0.565
MAT-POS-c88128cb-1
0.565
ALP-POS-6f6ae286-6
0.565
EDJ-MED-378a25ea-12
0.564
BEN-DND-32596b04-7
0.563
EDJ-MED-1981ceba-2
0.563
PET-UNK-af70882d-4
0.562
EDJ-MED-76744c27-5
0.562
MAT-POS-5cd9ea36-3
0.562
MAT-POS-5cd9ea36-20
0.562
PET-UNK-af70882d-3
0.562
MAT-POS-5cd9ea36-9
0.561
ANN-CHE-e1757302-1
0.561
MAT-POS-5cd9ea36-17
0.558
MAT-POS-4223bc15-5
0.558
ALF-EVA-07677224-3
0.557
EDJ-MED-7889e8da-2
0.555
EDJ-MED-be9e6f63-2
0.555
PET-UNK-ff046148-3
0.555
MAT-POS-5cd9ea36-4
0.552
MAT-POS-5cd9ea36-24
0.552
MAT-POS-4223bc15-29
0.552
PET-UNK-d61f3ea6-1
0.552
PET-UNK-b38839dc-10
0.551
PET-UNK-de87a406-1
0.551
EDJ-MED-1981ceba-1
0.551
PET-UNK-f4e47ebd-10
0.550
MAT-POS-78ab8081-6
0.549
PET-UNK-19e211a9-10
0.549
MAT-POS-5c19d660-2
0.549
PET-UNK-f4e47ebd-12
0.548
EDJ-MED-7f6e5b75-1
0.547
MAT-POS-5cd9ea36-19
0.547
BEN-DND-32596b04-5
0.546
MAT-POS-5cd9ea36-11
0.546
MAT-POS-4223bc15-4
0.546
MAT-POS-4223bc15-11
0.546
MAT-POS-4223bc15-30
0.546
EDJ-MED-378a25ea-10
0.545
PET-UNK-b38839dc-8
0.543