Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 472.13 |
| Fraction sp3: | 0.3 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 6 |
| TPSA: | 82.61 |
| cLogP: | 3.32 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-dd3ad2b5-4
PET-UNK-af70882d-3
0.819
MAT-POS-4223bc15-5
0.817
MAT-POS-4223bc15-6
0.813
MAT-POS-4223bc15-4
0.794
MAT-POS-dc2604c4-4
0.784
EDJ-MED-76744c27-6
0.784
EDJ-MED-76744c27-5
0.781
BRU-THA-d60fe444-1
0.777
MAT-POS-5cd9ea36-24
0.771
EDJ-MED-7f6e5b75-1
0.763
PET-UNK-af70882d-4
0.763
EDJ-MED-76744c27-3
0.753
BEN-DND-32596b04-6
0.752
PET-UNK-de87a406-1
0.747
MAT-POS-4223bc15-2
0.747
MAT-POS-dd3ad2b5-4
0.742
MAT-POS-24589f88-2
0.742
MAT-POS-24589f88-3
0.742
MAT-POS-dd1fff26-1
0.740
ANN-CHE-e1757302-2
0.740
MAT-POS-5cd9ea36-10
0.740
MAT-POS-5cd9ea36-11
0.740
MAT-POS-dd1fff26-2
0.740
EDJ-MED-4fff0a85-2
0.740
PET-UNK-af70882d-2
0.737
PET-UNK-615ad708-2
0.737
PET-UNK-615ad708-5
0.737
PET-UNK-ff046148-1
0.737
MAT-POS-4223bc15-1
0.737
MAT-POS-bf364d7a-7
0.735
MAT-POS-bf364d7a-8
0.735
ALF-EVA-07677224-7
0.735
EDJ-MED-76744c27-4
0.735
ANN-CHE-e1757302-5
0.733
ANN-CHE-e1757302-3
0.733
MAT-POS-bf364d7a-5
0.733
PET-UNK-af70882d-1
0.733
MAT-POS-5cd9ea36-1
0.733
EDJ-MED-76744c27-1
0.733
MAT-POS-5cd9ea36-23
0.733
MAT-POS-bf364d7a-6
0.733
MAT-POS-5cd9ea36-19
0.727
EDJ-MED-76744c27-2
0.725
XIA-UNK-c8ef6831-1
0.725
MAT-POS-5cd9ea36-12
0.725
EDJ-MED-76744c27-7
0.725
MAT-POS-5cd9ea36-17
0.724
ANN-CHE-e1757302-1
0.723
MAT-POS-5cd9ea36-9
0.723
MAT-POS-4223bc15-14
0.723
MAT-POS-dc2604c4-2
0.721
MAT-POS-5cd9ea36-16
0.720
ALF-EVA-07677224-9
0.718
MAT-POS-e194df51-2
0.716
JOH-SUS-07b743f6-6
0.716
MAT-POS-bf364d7a-3
0.716
MAT-POS-bf364d7a-4
0.716
XIA-UNK-284f966f-1
0.716
PET-UNK-94036022-8
0.716
MAT-POS-dc2604c4-1
0.716
EDJ-MED-4fff0a85-4
0.716
MAT-POS-e194df51-1
0.716
PET-UNK-94036022-1
0.716
MAT-POS-bf364d7a-1
0.712
MAT-POS-bf364d7a-2
0.712
MAT-POS-5cd9ea36-21
0.712
EDJ-MED-4fff0a85-3
0.712
PET-UNK-d61f3ea6-2
0.711
MAT-POS-5cd9ea36-20
0.710
ALP-POS-395d3f9b-1
0.709
ANN-CHE-e1757302-4
0.709
MAT-POS-5cd9ea36-8
0.705
ALF-EVA-0e90125c-6
0.705
MAT-POS-5cd9ea36-22
0.705
MAT-POS-4223bc15-13
0.704
JOH-SUS-07b743f6-3
0.702
MAT-POS-4223bc15-3
0.701
MAT-POS-5cd9ea36-4
0.700
MAT-POS-4223bc15-29
0.700
ALP-POS-07e1ed01-2
0.698
EDJ-MED-1981ceba-2
0.697
JOH-SUS-07b743f6-1
0.695
MAT-POS-4223bc15-12
0.695
MAT-POS-5cd9ea36-18
0.692
MAT-POS-5cd9ea36-2
0.690
BEN-DND-32596b04-5
0.689
MAT-POS-777f5926-4
0.689
MAT-POS-777f5926-3
0.689
EDJ-MED-4fff0a85-1
0.689
JOH-SUS-07b743f6-2
0.689
ALP-POS-07e1ed01-1
0.689
MAT-POS-dc2604c4-3
0.689
BRU-THA-98e973b9-1
0.687
PET-UNK-d61f3ea6-1
0.683
ALF-EVA-07677224-4
0.683
MAT-POS-5cd9ea36-5
0.682
ALF-EVA-0e90125c-7
0.682
BEN-DND-32596b04-7
0.680
EDJ-MED-1981ceba-3
0.680
BEN-DND-32596b04-2
0.680