Molecular Properties | |
SMILES: | CC(C)(O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4CS(=O)(=O)C4)Cc4ccc(Cl)cc43)c2c1 |
MW: | 577.11 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 133.74 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-c88128cb-1
0.769
MAT-POS-666635d5-2
0.761
MAT-POS-83f73d0a-1
0.761
MAT-POS-97ec4bd1-2
0.743
MAT-POS-5c19d660-2
0.727
EDJ-MED-4fff0a85-4
0.726
MAT-POS-bf364d7a-4
0.726
MAT-POS-bf364d7a-3
0.726
MAT-POS-97ec4bd1-1
0.721
MAT-POS-97ec4bd1-3
0.619
EDJ-MED-76744c27-3
0.618
MAT-POS-4223bc15-14
0.611
ANN-CHE-e1757302-5
0.591
EDJ-MED-378a25ea-22
0.574
MAT-POS-78ab8081-5
0.574
MAT-POS-4223bc15-6
0.573
MAT-POS-81ae2990-3
0.573
EDJ-MED-4fff0a85-1
0.571
MAT-POS-2e8b2191-9
0.570
EDJ-MED-378a25ea-26
0.570
MAT-POS-e36d57d9-1
0.570
EDJ-MED-7f6e5b75-1
0.570
MAT-POS-78ab8081-3
0.569
MAT-POS-b4d6b7fc-9
0.568
MAT-POS-81ae2990-9
0.568
EDJ-MED-378a25ea-10
0.567
MAT-POS-5cd9ea36-1
0.564
PET-UNK-af70882d-1
0.564
MAT-POS-bf364d7a-5
0.564
EDJ-MED-76744c27-1
0.564
MAT-POS-bf364d7a-6
0.564
PET-UNK-03fd2068-3
0.564
BRU-THA-d60fe444-1
0.562
MAT-POS-5cd9ea36-24
0.561
EDJ-MED-378a25ea-24
0.561
PET-UNK-de87a406-1
0.560
MAT-POS-5cd9ea36-12
0.559
FRA-DIA-6238d354-2
0.559
EDJ-MED-378a25ea-12
0.558
MAT-POS-81ae2990-6
0.558
PET-UNK-19e211a9-10
0.557
PET-UNK-19e211a9-9
0.557
MAT-POS-78ab8081-6
0.557
EDJ-MED-76744c27-5
0.557
EDJ-MED-4fff0a85-2
0.556
MAT-POS-5cd9ea36-11
0.556
EDJ-MED-4fff0a85-3
0.550
MAT-POS-bf364d7a-1
0.550
MAT-POS-bf364d7a-2
0.550
EDJ-MED-670ad2ee-9
0.549
EDJ-MED-670ad2ee-10
0.549
EDJ-MED-841e0cf0-7
0.549
MAT-POS-78ab8081-4
0.548
EDJ-MED-378a25ea-2
0.548
EDJ-MED-378a25ea-6
0.548
EDJ-MED-76744c27-7
0.546
EDJ-MED-76744c27-2
0.546
EDJ-MED-378a25ea-20
0.544
MAT-POS-5c19d660-3
0.544
EDJ-MED-378a25ea-8
0.544
EDJ-MED-670ad2ee-8
0.544
EDJ-MED-670ad2ee-7
0.544
EDJ-MED-841e0cf0-6
0.544
EDJ-MED-378a25ea-34
0.543
PET-UNK-af70882d-3
0.543
PET-UNK-af70882d-4
0.543
ANN-CHE-e1757302-2
0.542
EDJ-MED-378a25ea-28
0.540
MAT-POS-4223bc15-5
0.539
PET-UNK-d61f3ea6-3
0.538
JOH-SUS-07b743f6-1
0.537
MAT-POS-5cd9ea36-7
0.536
MAT-POS-bf364d7a-11
0.536
MAT-POS-bf364d7a-12
0.536
EDJ-MED-670ad2ee-6
0.535
EDJ-MED-841e0cf0-5
0.535
EDJ-MED-670ad2ee-5
0.535
EDJ-MED-28cccd0c-4
0.534
MAT-POS-83f73d0a-2
0.534
MAT-POS-78ab8081-1
0.534
EDJ-MED-76744c27-6
0.534
MAT-POS-dc2604c4-4
0.534
ANN-CHE-e1757302-4
0.533
EDJ-MED-378a25ea-5
0.531
EDJ-MED-378a25ea-30
0.531
MAT-POS-dd1fff26-1
0.529
ALF-EVA-0e90125c-4
0.529
MAT-POS-4223bc15-4
0.529
MAT-POS-5cd9ea36-10
0.529
MAT-POS-dd1fff26-2
0.529
ALP-POS-07e1ed01-2
0.528
EDJ-MED-378a25ea-14
0.527
EDJ-MED-378a25ea-16
0.527
PET-UNK-d61f3ea6-2
0.526
PET-UNK-615ad708-5
0.525
PET-UNK-af70882d-2
0.525
PET-UNK-ff046148-1
0.525
PET-UNK-615ad708-2
0.525
PET-UNK-94036022-1
0.525
XIA-UNK-284f966f-1
0.525