Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)C2CCCC2O)Cc2ccc(Cl)cc21 |
MW: | 485.12 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 99.6 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-4223bc15-9
1.000
MAT-POS-4223bc15-13
0.885
MAT-POS-4223bc15-3
0.800
ALF-EVA-07677224-4
0.755
MAT-POS-4223bc15-7
0.747
MAT-POS-4223bc15-15
0.747
MAT-POS-24589f88-2
0.747
MAT-POS-24589f88-3
0.747
MAT-POS-dd3ad2b5-4
0.747
JOH-SUS-07b743f6-5
0.745
MAT-POS-5cd9ea36-3
0.732
MAT-POS-4223bc15-8
0.727
MAT-POS-4223bc15-1
0.723
MAT-POS-4223bc15-6
0.723
BEN-DND-32596b04-7
0.719
EDJ-MED-1981ceba-2
0.719
MAT-POS-4223bc15-2
0.716
PET-UNK-d61f3ea6-2
0.716
MAT-POS-5cd9ea36-2
0.711
JOH-SUS-07b743f6-7
0.710
MAT-POS-4223bc15-10
0.710
BRU-THA-d60fe444-1
0.708
BRU-THA-98e973b9-1
0.708
EDJ-MED-76744c27-3
0.704
MAT-POS-5cd9ea36-4
0.704
PET-UNK-d61f3ea6-1
0.704
JOH-SUS-07b743f6-4
0.703
MAT-POS-5cd9ea36-20
0.697
ALF-EVA-0e90125c-3
0.696
MAT-POS-5cd9ea36-17
0.694
MAT-POS-4223bc15-5
0.694
PET-UNK-af70882d-2
0.690
PET-UNK-d61f3ea6-3
0.690
MAT-POS-5cd9ea36-24
0.687
MAT-POS-4223bc15-29
0.687
EDJ-MED-1981ceba-1
0.683
EDJ-MED-7f6e5b75-1
0.680
MAT-POS-5cd9ea36-19
0.680
EDJ-MED-76744c27-5
0.680
PET-UNK-af70882d-3
0.680
PET-UNK-af70882d-4
0.680
ANN-CHE-e1757302-4
0.680
MAT-POS-5cd9ea36-11
0.676
ALF-EVA-0e90125c-4
0.676
ANN-CHE-e1757302-1
0.676
ANN-CHE-e1757302-2
0.676
BEN-DND-32596b04-1
0.676
ALF-EVA-0e90125c-5
0.676
MAT-POS-4223bc15-11
0.676
MAT-POS-dd3ad2b5-3
0.674
PET-UNK-615ad708-5
0.673
PET-UNK-ff046148-1
0.673
PET-UNK-615ad708-2
0.673
MAT-POS-5cd9ea36-16
0.673
ALF-EVA-07677224-3
0.673
EDJ-MED-1981ceba-4
0.673
ANN-CHE-e1757302-5
0.670
ANN-CHE-e1757302-3
0.670
PET-UNK-de87a406-1
0.667
BEN-DND-32596b04-2
0.667
BEN-DND-32596b04-8
0.667
EDJ-MED-1981ceba-3
0.667
EDJ-MED-1981ceba-5
0.667
EDJ-MED-76744c27-6
0.667
ALF-EVA-07677224-2
0.667
MAT-POS-dc2604c4-4
0.667
MAT-POS-5cd9ea36-18
0.663
MAT-POS-5cd9ea36-12
0.663
ALP-POS-395d3f9b-1
0.663
MAT-POS-4223bc15-31
0.663
MAT-POS-dc2604c4-2
0.660
MAT-POS-5cd9ea36-9
0.660
MAT-POS-5cd9ea36-10
0.660
ALF-EVA-07677224-6
0.660
MAT-POS-dd1fff26-1
0.660
BEN-DND-32596b04-5
0.660
MAT-POS-dd1fff26-2
0.660
MAT-POS-4223bc15-4
0.660
MAT-POS-4223bc15-30
0.660
MAT-POS-4223bc15-14
0.660
EDJ-MED-4fff0a85-2
0.660
XIA-UNK-d96e3d51-1
0.657
BEN-DND-32596b04-6
0.657
MAT-POS-bf364d7a-7
0.657
MAT-POS-bf364d7a-8
0.657
ALF-EVA-07677224-7
0.657
ALF-EVA-07677224-9
0.657
EDJ-MED-76744c27-4
0.657
MAT-POS-4223bc15-16
0.654
MAT-POS-bf364d7a-4
0.654
MAT-POS-bf364d7a-6
0.654
PET-UNK-94036022-8
0.654
XIA-UNK-50bd045a-1
0.654
BEN-DND-32596b04-3
0.654
BEN-DND-32596b04-9
0.654
ALF-EVA-0e90125c-8
0.654
PET-UNK-af70882d-1
0.654
MAT-POS-bf364d7a-5
0.654
EDJ-MED-76744c27-1
0.654
MAT-POS-5cd9ea36-1
0.654