Molecular Properties | |
SMILES: | O=C(N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)C1CC(N2CC(O)C2)C1 |
MW: | 506.17 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 103.79 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-85
0.769
EDG-MED-90036822-83
0.722
EDG-MED-90036822-65
0.709
EDG-MED-90036822-76
0.697
EDG-MED-90036822-77
0.697
EDG-MED-90036822-64
0.696
EDG-MED-90036822-86
0.690
EDG-MED-90036822-103
0.685
EDG-MED-90036822-75
0.685
EDG-MED-90036822-74
0.685
EDG-MED-90036822-29
0.683
EDG-MED-90036822-28
0.683
EDG-MED-90036822-73
0.676
EDG-MED-90036822-15
0.673
EDG-MED-90036822-11
0.670
EDG-MED-90036822-10
0.670
EDG-MED-90036822-7
0.669
EDG-MED-90036822-63
0.667
EDG-MED-90036822-13
0.663
ALP-UNI-dbbfd3db-4
0.661
EDG-MED-90036822-69
0.661
EDG-MED-90036822-70
0.661
EDG-MED-90036822-16
0.657
EDG-MED-90036822-17
0.657
EDG-MED-90036822-47
0.657
EDG-MED-90036822-48
0.657
EDG-MED-90036822-2
0.657
EDG-MED-90036822-40
0.652
EDG-MED-90036822-33
0.651
EDG-MED-90036822-80
0.651
EDG-MED-90036822-100
0.651
ALP-UNI-dbbfd3db-15
0.649
EDG-MED-90036822-51
0.649
EDG-MED-90036822-34
0.648
EDG-MED-90036822-37
0.645
EDG-MED-90036822-24
0.645
EDG-MED-90036822-3
0.642
EDG-MED-90036822-4
0.642
EDG-MED-90036822-5
0.642
EDG-MED-90036822-56
0.642
EDG-MED-90036822-35
0.637
EDG-MED-90036822-57
0.637
EDG-MED-90036822-61
0.636
EDG-MED-90036822-58
0.634
EDG-MED-90036822-59
0.634
EDG-MED-90036822-21
0.633
EDG-MED-90036822-9
0.633
EDG-MED-90036822-94
0.632
EDG-MED-90036822-101
0.632
MAT-POS-2905de8c-2
0.631
EDJ-MED-6864a934-10
0.631
EDG-MED-90036822-78
0.628
EDG-MED-90036822-62
0.627
EDG-MED-90036822-44
0.627
EDG-MED-90036822-60
0.626
ALP-UNI-dbbfd3db-6
0.625
EDG-MED-90036822-66
0.625
MAT-POS-24589f88-11
0.625
EDG-MED-90036822-106
0.623
EDG-MED-90036822-96
0.623
EDG-MED-90036822-68
0.619
EDG-MED-90036822-55
0.619
EDG-MED-90036822-99
0.617
EDG-MED-90036822-84
0.616
EDJ-MED-6864a934-2
0.615
EDG-MED-90036822-102
0.614
EDG-MED-90036822-14
0.613
EDG-MED-90036822-36
0.612
EDG-MED-90036822-81
0.612
EDG-MED-90036822-98
0.612
EDG-MED-90036822-72
0.611
EDJ-MED-6864a934-1
0.611
EDG-MED-90036822-18
0.609
EDG-MED-90036822-108
0.607
ALP-UNI-dbbfd3db-13
0.607
EDG-MED-90036822-32
0.605
EDG-MED-90036822-87
0.605
EDG-MED-90036822-109
0.605
EDG-MED-90036822-19
0.605
EDG-MED-90036822-43
0.603
EDJ-MED-6864a934-5
0.602
EDG-MED-90036822-25
0.602
EDG-MED-90036822-95
0.602
KAD-UNI-8a629cb0-13
0.600
EDG-MED-90036822-107
0.600
ALP-UNI-dbbfd3db-3
0.600
EDG-MED-90036822-88
0.598
EDG-MED-90036822-90
0.598
EDG-MED-90036822-26
0.597
VLA-UCB-34f3ed0c-4
0.595
EDG-MED-90036822-8
0.593
EDG-MED-90036822-20
0.593
EDG-MED-90036822-31
0.593
EDG-MED-90036822-110
0.593
EDG-MED-90036822-54
0.593
EDG-MED-90036822-49
0.590
EDG-MED-90036822-67
0.590
EDG-MED-90036822-79
0.590
EDG-MED-90036822-82
0.588
EDJ-MED-6864a934-4
0.588