Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C(F)(F)F)CC4)Cc4ccc(Cl)cc43)c2c1 |
| MW: | 580.12 |
| Fraction sp3: | 0.35 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 108.47 |
| cLogP: | 4.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
high halogen content (>3)
Hetero_hetero
ALP-POS-395d3f9b-1
EDJ-MED-378a25ea-2
0.806
MAT-POS-78ab8081-4
0.806
MAT-POS-78ab8081-3
0.782
MAT-POS-5c19d660-2
0.755
ALP-POS-395d3f9b-1
0.731
MAT-POS-5c19d660-1
0.675
EDJ-MED-378a25ea-19
0.672
EDJ-MED-378a25ea-32
0.656
EDJ-MED-378a25ea-1
0.650
EDJ-MED-378a25ea-8
0.647
MAT-POS-81ae2990-3
0.640
MAT-POS-81ae2990-6
0.624
MAT-POS-b4d6b7fc-9
0.621
MAT-POS-81ae2990-9
0.621
EDJ-MED-378a25ea-10
0.619
PET-UNK-19e211a9-10
0.608
MAT-POS-78ab8081-6
0.608
MAT-POS-97ec4bd1-2
0.608
MAT-POS-97ec4bd1-1
0.603
EDJ-MED-378a25ea-22
0.598
MAT-POS-666635d5-2
0.598
MAT-POS-78ab8081-5
0.598
MAT-POS-83f73d0a-1
0.598
EDJ-MED-378a25ea-12
0.597
PET-UNK-19e211a9-9
0.595
MAT-POS-e36d57d9-1
0.595
MAT-POS-2e8b2191-9
0.595
EDJ-MED-378a25ea-26
0.595
MAT-POS-dd1fff26-1
0.595
MAT-POS-5cd9ea36-9
0.595
MAT-POS-5cd9ea36-10
0.595
MAT-POS-dd1fff26-2
0.595
EDJ-MED-378a25ea-30
0.592
PET-UNK-615ad708-5
0.591
PET-UNK-615ad708-2
0.591
PET-UNK-ff046148-1
0.591
PET-UNK-94036022-1
0.590
XIA-UNK-284f966f-1
0.590
PET-UNK-94036022-8
0.590
EDJ-MED-378a25ea-28
0.589
EDJ-MED-378a25ea-6
0.585
EDJ-MED-378a25ea-24
0.585
XIA-UNK-c8ef6831-1
0.585
EDJ-MED-76744c27-4
0.580
MAT-POS-bf364d7a-7
0.580
MAT-POS-bf364d7a-8
0.580
ALF-EVA-07677224-7
0.580
MAT-POS-e194df51-1
0.576
MAT-POS-e194df51-2
0.576
MAT-POS-dc2604c4-1
0.576
BRU-THA-d60fe444-1
0.575
EDJ-MED-4fff0a85-3
0.575
MAT-POS-bf364d7a-1
0.575
MAT-POS-bf364d7a-2
0.575
EDJ-MED-378a25ea-14
0.575
PET-UNK-de87a406-1
0.573
MAT-POS-c88128cb-1
0.571
MAT-POS-4223bc15-6
0.571
MAT-POS-dc2604c4-2
0.570
EDJ-MED-378a25ea-20
0.568
EDJ-MED-378a25ea-5
0.567
EDJ-MED-378a25ea-34
0.567
ALF-EVA-07677224-9
0.567
ALP-POS-07e1ed01-2
0.566
PET-UNK-19e211a9-5
0.565
JOH-SUS-07b743f6-6
0.563
EDJ-MED-378a25ea-16
0.562
PET-UNK-03fd2068-3
0.562
MAT-POS-4223bc15-12
0.562
JOH-SUS-07b743f6-1
0.562
EDJ-MED-841e0cf0-7
0.561
EDJ-MED-670ad2ee-9
0.561
EDJ-MED-670ad2ee-10
0.561
MAT-POS-78ab8081-2
0.558
FRA-DIA-6238d354-2
0.558
MAT-POS-5cd9ea36-8
0.557
JOH-SUS-07b743f6-2
0.557
PET-UNK-af70882d-4
0.556
PET-UNK-c6bcc80b-1
0.556
PET-UNK-c6bcc80b-8
0.556
EDJ-MED-7f6e5b75-1
0.556
PET-UNK-af70882d-3
0.556
EDJ-MED-76744c27-5
0.556
JOH-SUS-07b743f6-3
0.554
MAT-POS-5cd9ea36-5
0.553
PET-UNK-19e211a9-6
0.552
PET-UNK-19e211a9-7
0.552
EDJ-MED-378a25ea-17
0.551
EDJ-MED-be9e6f63-4
0.551
EDJ-MED-7889e8da-4
0.551
PET-UNK-ff046148-2
0.550
MAT-POS-5cd9ea36-24
0.547
MAT-POS-5cd9ea36-12
0.545
MAT-POS-83f73d0a-2
0.545
MAT-POS-78ab8081-1
0.545
MAT-POS-777f5926-3
0.545
MAT-POS-777f5926-4
0.545
ALP-POS-07e1ed01-1
0.545
MAT-POS-dc2604c4-3
0.545
MAT-POS-c88128cb-2
0.544