Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)NCC(O)CO)Cc2ccc(Cl)cc21 |
MW: | 490.11 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 131.86 |
cLogP: | 1.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
MAT-POS-5cd9ea36-17
0.809
MAT-POS-4223bc15-1
0.785
BEN-DND-32596b04-5
0.768
MAT-POS-5cd9ea36-2
0.753
BEN-DND-32596b04-6
0.745
MAT-POS-5cd9ea36-4
0.745
MAT-POS-4223bc15-29
0.745
MAT-POS-5cd9ea36-3
0.737
MAT-POS-24589f88-2
0.716
MAT-POS-24589f88-3
0.716
MAT-POS-dd3ad2b5-4
0.716
MAT-POS-4223bc15-6
0.711
MAT-POS-4223bc15-5
0.700
BRU-THA-98e973b9-1
0.697
BRU-THA-d60fe444-1
0.697
MAT-POS-4223bc15-3
0.694
DAR-DIA-5e50e037-1
0.692
BEN-DND-32596b04-9
0.692
BEN-DND-32596b04-4
0.689
PET-UNK-d61f3ea6-2
0.687
MAT-POS-4223bc15-2
0.687
EDJ-MED-76744c27-5
0.686
MAT-POS-4223bc15-15
0.683
MAT-POS-4223bc15-13
0.680
EDJ-MED-76744c27-3
0.676
MAT-POS-5cd9ea36-24
0.676
BEN-DND-32596b04-7
0.673
EDJ-MED-1981ceba-2
0.673
BEN-DND-32596b04-8
0.673
PET-UNK-af70882d-3
0.670
PET-UNK-af70882d-4
0.670
MAT-POS-5cd9ea36-19
0.670
EDJ-MED-7f6e5b75-1
0.670
MAT-POS-5cd9ea36-11
0.667
MAT-POS-4223bc15-14
0.667
ALF-EVA-0e90125c-4
0.667
MAT-POS-4223bc15-7
0.667
PET-UNK-ff046148-1
0.663
MAT-POS-5cd9ea36-16
0.663
ALF-EVA-07677224-3
0.663
PET-UNK-615ad708-2
0.663
PET-UNK-af70882d-2
0.663
PET-UNK-615ad708-5
0.663
MAT-POS-5cd9ea36-23
0.660
PET-UNK-d61f3ea6-1
0.660
MAT-POS-dc2604c4-4
0.657
EDJ-MED-76744c27-6
0.657
PET-UNK-de87a406-1
0.657
ALP-POS-395d3f9b-1
0.654
ALF-EVA-07677224-10
0.654
MAT-POS-61f37a1a-2
0.654
MAT-POS-5cd9ea36-20
0.654
MAT-POS-4223bc15-9
0.654
ANN-CHE-e1757302-1
0.651
ANN-CHE-e1757302-2
0.651
EDJ-MED-4fff0a85-2
0.651
MAT-POS-5cd9ea36-9
0.651
MAT-POS-5cd9ea36-10
0.651
MAT-POS-dd1fff26-1
0.651
MAT-POS-dd1fff26-2
0.651
MAT-POS-4223bc15-4
0.651
ALF-EVA-07677224-6
0.651
BEN-DND-32596b04-1
0.651
MAT-POS-4223bc15-30
0.651
JOH-SUS-07b743f6-3
0.648
ALF-EVA-07677224-9
0.648
EDJ-MED-1981ceba-4
0.648
PET-UNK-d61f3ea6-3
0.648
MAT-POS-5cd9ea36-5
0.645
ALF-EVA-0e90125c-7
0.645
MAT-POS-dc2604c4-1
0.645
MAT-POS-bf364d7a-5
0.645
MAT-POS-5cd9ea36-1
0.645
EDJ-MED-76744c27-1
0.645
ANN-CHE-e1757302-5
0.645
ANN-CHE-e1757302-3
0.645
EDJ-MED-4fff0a85-4
0.645
MAT-POS-e194df51-1
0.645
MAT-POS-e194df51-2
0.645
JOH-SUS-07b743f6-6
0.645
XIA-UNK-284f966f-1
0.645
MAT-POS-bf364d7a-3
0.645
MAT-POS-bf364d7a-4
0.645
MAT-POS-bf364d7a-6
0.645
PET-UNK-94036022-1
0.645
PET-UNK-94036022-8
0.645
ALF-EVA-07677224-1
0.645
PET-UNK-af70882d-1
0.645
JOH-SUS-07b743f6-1
0.642
EDJ-MED-1981ceba-1
0.642
EDJ-MED-1981ceba-3
0.642
EDJ-MED-1981ceba-5
0.642
ALF-EVA-07677224-2
0.642
BEN-DND-32596b04-2
0.642
EDJ-MED-76744c27-2
0.639
EDJ-MED-76744c27-7
0.639
ANN-CHE-e1757302-4
0.639
MAT-POS-5cd9ea36-12
0.639
MAT-POS-5cd9ea36-18
0.639
XIA-UNK-c8ef6831-1
0.639