Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)C2CCC2O)Cc2ccc(Cl)cc21 |
MW: | 471.1 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 99.6 |
cLogP: | 3.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-4223bc15-9
0.885
MAT-POS-61f37a1a-2
0.885
MAT-POS-4223bc15-3
0.837
ALF-EVA-07677224-4
0.787
MAT-POS-24589f88-3
0.782
MAT-POS-24589f88-2
0.782
MAT-POS-dd3ad2b5-4
0.782
MAT-POS-4223bc15-15
0.780
MAT-POS-4223bc15-7
0.780
JOH-SUS-07b743f6-5
0.777
MAT-POS-4223bc15-8
0.758
MAT-POS-4223bc15-10
0.758
MAT-POS-4223bc15-1
0.756
MAT-POS-4223bc15-6
0.756
BEN-DND-32596b04-7
0.750
PET-UNK-d61f3ea6-2
0.747
MAT-POS-4223bc15-2
0.747
MAT-POS-5cd9ea36-2
0.742
JOH-SUS-07b743f6-7
0.740
BRU-THA-98e973b9-1
0.739
BRU-THA-d60fe444-1
0.739
MAT-POS-4223bc15-29
0.734
MAT-POS-5cd9ea36-24
0.734
EDJ-MED-76744c27-3
0.734
JOH-SUS-07b743f6-4
0.732
EDJ-MED-1981ceba-2
0.731
MAT-POS-5cd9ea36-20
0.726
MAT-POS-5cd9ea36-3
0.726
ALF-EVA-0e90125c-3
0.724
MAT-POS-5cd9ea36-17
0.723
MAT-POS-4223bc15-5
0.723
PET-UNK-d61f3ea6-3
0.719
MAT-POS-5cd9ea36-4
0.716
PET-UNK-d61f3ea6-1
0.716
EDJ-MED-7f6e5b75-1
0.708
EDJ-MED-76744c27-5
0.708
PET-UNK-af70882d-3
0.708
PET-UNK-af70882d-4
0.708
MAT-POS-5cd9ea36-19
0.708
MAT-POS-4223bc15-11
0.704
ALF-EVA-0e90125c-4
0.704
ALF-EVA-07677224-6
0.704
ANN-CHE-e1757302-1
0.704
MAT-POS-5cd9ea36-11
0.704
EDJ-MED-1981ceba-4
0.701
PET-UNK-615ad708-5
0.701
ALF-EVA-07677224-3
0.701
PET-UNK-af70882d-2
0.701
PET-UNK-615ad708-2
0.701
PET-UNK-ff046148-1
0.701
MAT-POS-5cd9ea36-16
0.701
ANN-CHE-e1757302-5
0.697
ANN-CHE-e1757302-3
0.697
EDJ-MED-1981ceba-1
0.694
ALF-EVA-07677224-2
0.694
EDJ-MED-1981ceba-3
0.694
EDJ-MED-1981ceba-5
0.694
MAT-POS-dc2604c4-4
0.694
EDJ-MED-76744c27-6
0.694
BEN-DND-32596b04-2
0.694
BEN-DND-32596b04-8
0.694
PET-UNK-de87a406-1
0.694
ALP-POS-395d3f9b-1
0.690
MAT-POS-5cd9ea36-12
0.690
XIA-UNK-c8ef6831-1
0.690
MAT-POS-dd1fff26-1
0.687
BEN-DND-32596b04-1
0.687
MAT-POS-dd1fff26-2
0.687
BEN-DND-32596b04-5
0.687
MAT-POS-4223bc15-4
0.687
MAT-POS-4223bc15-14
0.687
MAT-POS-4223bc15-30
0.687
ALF-EVA-0e90125c-5
0.687
ANN-CHE-e1757302-2
0.687
EDJ-MED-4fff0a85-2
0.687
MAT-POS-5cd9ea36-9
0.687
MAT-POS-5cd9ea36-10
0.687
MAT-POS-dd3ad2b5-3
0.685
ALF-EVA-07677224-7
0.683
BEN-DND-32596b04-6
0.683
EDJ-MED-76744c27-4
0.683
ALF-EVA-07677224-9
0.683
MAT-POS-bf364d7a-7
0.683
MAT-POS-bf364d7a-8
0.683
BEN-DND-f2e727cd-6
0.681
MAT-POS-dd3ad2b5-1
0.681
PET-UNK-94036022-8
0.680
MAT-POS-5cd9ea36-23
0.680
MAT-POS-bf364d7a-6
0.680
MAT-POS-bf364d7a-4
0.680
PET-UNK-af70882d-1
0.680
XIA-UNK-284f966f-1
0.680
EDJ-MED-4fff0a85-4
0.680
XIA-UNK-50bd045a-1
0.680
MAT-POS-dc2604c4-1
0.680
ALF-EVA-07677224-1
0.680
BEN-DND-32596b04-3
0.680
BEN-DND-32596b04-9
0.680
ALF-EVA-0e90125c-8
0.680
MAT-POS-bf364d7a-5
0.680