Molecular Properties | |
SMILES: | NCC(=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 410.11 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 106.34 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-100
0.871
EDG-MED-90036822-13
0.869
EDG-MED-90036822-86
0.821
EDG-MED-90036822-21
0.820
EDG-MED-90036822-9
0.820
EDG-MED-90036822-34
0.820
EDG-MED-90036822-62
0.811
EDG-MED-90036822-3
0.811
EDG-MED-90036822-4
0.811
EDG-MED-90036822-56
0.811
EDG-MED-90036822-61
0.802
EDG-MED-90036822-106
0.798
EDG-MED-90036822-96
0.798
EDG-MED-90036822-58
0.796
EDG-MED-90036822-59
0.796
EDG-MED-90036822-88
0.781
EDG-MED-90036822-57
0.779
EDG-MED-90036822-68
0.777
EDG-MED-90036822-44
0.772
EDG-MED-90036822-5
0.772
EDG-MED-90036822-11
0.769
EDG-MED-90036822-10
0.769
EDG-MED-90036822-29
0.767
EDG-MED-90036822-28
0.767
EDG-MED-90036822-63
0.767
EDG-MED-90036822-27
0.765
EDG-MED-90036822-50
0.763
VLA-UCB-34f3ed0c-4
0.760
EDG-MED-90036822-18
0.760
EDG-MED-90036822-24
0.758
EDG-MED-90036822-16
0.753
EDG-MED-90036822-15
0.753
EDG-MED-90036822-17
0.753
EDG-MED-90036822-49
0.753
EDG-MED-90036822-43
0.753
MAT-POS-2905de8c-2
0.747
ALP-UNI-dbbfd3db-5
0.740
EDG-MED-90036822-51
0.740
EDG-MED-90036822-93
0.737
EDG-MED-90036822-31
0.737
EDG-MED-90036822-54
0.737
EDG-MED-90036822-47
0.734
EDG-MED-90036822-48
0.734
EDG-MED-90036822-82
0.730
EDG-MED-90036822-66
0.729
EDJ-MED-6864a934-1
0.729
EDG-MED-90036822-103
0.727
EDG-MED-90036822-33
0.726
EDG-MED-90036822-80
0.726
KAD-UNI-8a629cb0-13
0.725
ALP-UNI-dbbfd3db-3
0.725
EDG-MED-90036822-35
0.724
EDG-MED-90036822-41
0.723
EDG-MED-90036822-87
0.722
EDG-MED-90036822-22
0.721
EDG-MED-90036822-37
0.719
EDJ-MED-6864a934-10
0.719
EDG-MED-90036822-84
0.719
EDG-MED-90036822-109
0.716
KAD-UNI-8a629cb0-40
0.716
ALP-UNI-dbbfd3db-10
0.716
ALP-UNI-dbbfd3db-7
0.716
EDG-MED-90036822-102
0.714
EDJ-MED-6864a934-5
0.713
ALP-UNI-dbbfd3db-12
0.712
EDG-MED-90036822-72
0.711
ALP-UNI-dbbfd3db-8
0.709
EDG-MED-90036822-76
0.707
EDG-MED-90036822-77
0.707
EDG-MED-90036822-32
0.704
EDG-MED-90036822-65
0.703
ALP-UNI-dbbfd3db-18
0.702
ALP-UNI-dbbfd3db-14
0.702
EDG-MED-90036822-89
0.702
EDG-MED-90036822-97
0.702
EDG-MED-90036822-101
0.700
EDG-MED-90036822-69
0.699
EDG-MED-90036822-70
0.699
EDG-MED-90036822-78
0.697
EDG-MED-90036822-85
0.697
EDG-MED-90036822-107
0.697
EDG-MED-90036822-1
0.696
EDG-MED-90036822-60
0.693
EDG-MED-90036822-36
0.693
EDG-MED-90036822-90
0.693
EDG-MED-90036822-81
0.693
ALP-UNI-dbbfd3db-1
0.689
EDJ-MED-6d9ff7d0-9
0.688
EDG-MED-90036822-108
0.686
EDG-MED-90036822-110
0.686
EDG-MED-90036822-83
0.683
EDG-MED-90036822-94
0.683
EDG-MED-90036822-67
0.683
EDG-MED-90036822-73
0.683
EDG-MED-90036822-99
0.683
EDG-MED-90036822-79
0.683
ALP-UNI-dbbfd3db-9
0.682
KAD-UNI-8a629cb0-37
0.682
EDG-MED-90036822-52
0.680
EDG-MED-90036822-95
0.680