Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)CC2CC23CC3)Cc2ccc(Cl)cc21 |
| MW: | 481.12 |
| Fraction sp3: | 0.36 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 4.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-5cd9ea36-11
0.853
EDJ-MED-76744c27-3
0.792
PET-UNK-af70882d-3
0.784
BRU-THA-d60fe444-1
0.779
MAT-POS-4223bc15-6
0.777
ANN-CHE-e1757302-5
0.770
MAT-POS-4223bc15-14
0.760
PET-UNK-ff046148-1
0.758
PET-UNK-615ad708-2
0.758
PET-UNK-615ad708-5
0.758
MAT-POS-bf364d7a-4
0.752
EDJ-MED-4fff0a85-4
0.752
MAT-POS-bf364d7a-3
0.752
XIA-UNK-c8ef6831-1
0.745
MAT-POS-4223bc15-5
0.745
MAT-POS-5cd9ea36-9
0.743
MAT-POS-5cd9ea36-10
0.743
MAT-POS-dd1fff26-1
0.743
MAT-POS-dd1fff26-2
0.743
MAT-POS-5cd9ea36-24
0.737
MAT-POS-dc2604c4-1
0.735
PET-UNK-94036022-8
0.735
MAT-POS-e194df51-1
0.735
MAT-POS-e194df51-2
0.735
PET-UNK-94036022-1
0.735
XIA-UNK-284f966f-1
0.735
EDJ-MED-76744c27-5
0.730
EDJ-MED-7f6e5b75-1
0.730
PET-UNK-af70882d-4
0.730
ALP-POS-395d3f9b-1
0.728
ALF-EVA-0e90125c-4
0.725
EDJ-MED-4fff0a85-1
0.724
PET-UNK-af70882d-2
0.723
EDJ-MED-76744c27-4
0.721
MAT-POS-bf364d7a-7
0.721
MAT-POS-bf364d7a-8
0.721
ALF-EVA-07677224-7
0.721
JOH-SUS-07b743f6-6
0.718
EDJ-MED-76744c27-6
0.716
PET-UNK-de87a406-1
0.716
MAT-POS-dc2604c4-4
0.716
JOH-SUS-07b743f6-1
0.714
MAT-POS-4223bc15-12
0.714
ANN-CHE-e1757302-1
0.709
ANN-CHE-e1757302-2
0.709
EDJ-MED-4fff0a85-2
0.709
MAT-POS-4223bc15-4
0.709
MAT-POS-24589f88-2
0.708
MAT-POS-24589f88-3
0.708
MAT-POS-dd3ad2b5-4
0.708
MAT-POS-5cd9ea36-8
0.708
JOH-SUS-07b743f6-2
0.708
MAT-POS-dc2604c4-2
0.708
JOH-SUS-07b743f6-3
0.705
ALF-EVA-07677224-9
0.705
ANN-CHE-e1757302-3
0.702
MAT-POS-bf364d7a-5
0.702
MAT-POS-5cd9ea36-1
0.702
EDJ-MED-76744c27-1
0.702
MAT-POS-bf364d7a-6
0.702
PET-UNK-af70882d-1
0.702
MAT-POS-5cd9ea36-5
0.701
EDJ-MED-4fff0a85-3
0.698
MAT-POS-bf364d7a-1
0.698
MAT-POS-bf364d7a-2
0.698
MAT-POS-4223bc15-2
0.697
ANN-CHE-e1757302-4
0.695
EDJ-MED-76744c27-2
0.695
EDJ-MED-76744c27-7
0.695
MAT-POS-dc2604c4-3
0.692
MAT-POS-777f5926-3
0.692
MAT-POS-777f5926-4
0.692
ALP-POS-07e1ed01-1
0.692
BRU-THA-98e973b9-1
0.690
MAT-POS-4223bc15-13
0.690
MAT-POS-4223bc15-1
0.687
MAT-POS-4223bc15-3
0.687
ALP-POS-07e1ed01-2
0.685
MAT-POS-5cd9ea36-6
0.682
MAT-POS-bf364d7a-9
0.682
MAT-POS-bf364d7a-10
0.682
PET-UNK-d61f3ea6-2
0.680
MAT-POS-5cd9ea36-17
0.676
ALF-EVA-0e90125c-6
0.676
MAT-POS-5cd9ea36-7
0.676
MAT-POS-bf364d7a-11
0.676
MAT-POS-bf364d7a-12
0.676
MAT-POS-5cd9ea36-16
0.673
MAT-POS-5cd9ea36-23
0.670
ALF-EVA-0e90125c-7
0.670
EDJ-MED-1981ceba-2
0.667
BEN-DND-32596b04-7
0.667
MAT-POS-5cd9ea36-18
0.664
MAT-POS-5cd9ea36-19
0.663
MAT-POS-4223bc15-9
0.663
MAT-POS-5cd9ea36-20
0.663
MAT-POS-61f37a1a-2
0.663
MAT-POS-5cd9ea36-2
0.660
MAT-POS-4223bc15-7
0.660
MAT-POS-4223bc15-15
0.660