Molecular Properties | |
SMILES: | O=C(CCF)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 427.11 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Beta halo carbonyl
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-2
0.871
EDG-MED-90036822-13
0.859
EDG-MED-90036822-96
0.828
EDG-MED-90036822-58
0.826
EDG-MED-90036822-59
0.826
EDG-MED-90036822-44
0.822
EDG-MED-90036822-62
0.822
EDG-MED-90036822-86
0.812
EDG-MED-90036822-9
0.811
EDG-MED-90036822-21
0.811
EDG-MED-90036822-34
0.811
EDG-MED-90036822-56
0.802
EDG-MED-90036822-61
0.793
EDG-MED-90036822-88
0.792
EDG-MED-90036822-106
0.789
EDG-MED-90036822-57
0.789
EDG-MED-90036822-51
0.787
EDG-MED-90036822-16
0.783
EDG-MED-90036822-17
0.783
EDG-MED-90036822-5
0.783
EDG-MED-90036822-3
0.783
EDG-MED-90036822-4
0.783
EDG-MED-90036822-63
0.778
EDG-MED-90036822-24
0.769
EDG-MED-90036822-68
0.768
EDG-MED-90036822-15
0.763
EDG-MED-90036822-49
0.763
EDG-MED-90036822-28
0.758
EDG-MED-90036822-29
0.758
EDG-MED-90036822-27
0.758
EDG-MED-90036822-18
0.753
VLA-UCB-34f3ed0c-4
0.753
EDG-MED-90036822-54
0.747
EDG-MED-90036822-93
0.747
EDG-MED-90036822-43
0.745
EDG-MED-90036822-109
0.743
EDG-MED-90036822-10
0.742
EDG-MED-90036822-11
0.742
EDG-MED-90036822-82
0.740
EDG-MED-90036822-66
0.740
MAT-POS-2905de8c-2
0.739
EDG-MED-90036822-50
0.737
EDG-MED-90036822-33
0.737
ALP-UNI-dbbfd3db-8
0.735
ALP-UNI-dbbfd3db-5
0.733
EDG-MED-90036822-87
0.732
EDG-MED-90036822-22
0.731
EDG-MED-90036822-31
0.730
EDG-MED-90036822-65
0.730
EDG-MED-90036822-84
0.729
EDG-MED-90036822-37
0.729
EDG-MED-90036822-47
0.726
EDG-MED-90036822-48
0.726
ALP-UNI-dbbfd3db-7
0.725
EDG-MED-90036822-102
0.724
EDG-MED-90036822-72
0.722
EDJ-MED-6864a934-1
0.722
EDG-MED-90036822-80
0.719
EDG-MED-90036822-35
0.717
EDG-MED-90036822-76
0.717
EDG-MED-90036822-77
0.717
EDG-MED-90036822-41
0.716
EDG-MED-90036822-32
0.714
EDJ-MED-6864a934-10
0.711
EDG-MED-90036822-67
0.710
EDG-MED-90036822-101
0.710
KAD-UNI-8a629cb0-40
0.709
ALP-UNI-dbbfd3db-10
0.709
EDG-MED-90036822-85
0.707
EDG-MED-90036822-107
0.707
EDG-MED-90036822-78
0.707
EDG-MED-90036822-1
0.706
EDG-MED-90036822-36
0.703
EDG-MED-90036822-81
0.703
EDG-MED-90036822-103
0.703
KAD-UNI-8a629cb0-13
0.702
ALP-UNI-dbbfd3db-3
0.702
ALP-UNI-dbbfd3db-1
0.698
EDG-MED-90036822-20
0.696
EDG-MED-90036822-108
0.696
EDG-MED-90036822-110
0.696
EDG-MED-90036822-97
0.695
ALP-UNI-dbbfd3db-14
0.695
ALP-UNI-dbbfd3db-18
0.695
EDG-MED-90036822-89
0.695
EDG-MED-90036822-79
0.693
EDG-MED-90036822-94
0.693
EDG-MED-90036822-99
0.693
EDG-MED-90036822-69
0.692
EDG-MED-90036822-70
0.692
EDG-MED-90036822-52
0.689
EDG-MED-90036822-95
0.689
EDG-MED-90036822-105
0.689
EDJ-MED-6864a934-5
0.689
ALP-UNI-dbbfd3db-12
0.689
EDG-MED-90036822-74
0.686
EDG-MED-90036822-90
0.686
EDG-MED-90036822-60
0.686
EDG-MED-90036822-75
0.686
EDG-MED-90036822-6
0.686