Molecular Properties | |
SMILES: | Cn1ccnc1CC(=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 475.14 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.14 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-13
0.730
EDG-MED-90036822-2
0.723
EDG-MED-90036822-100
0.716
EDG-MED-90036822-50
0.716
EDG-MED-90036822-21
0.712
EDG-MED-90036822-9
0.712
EDG-MED-90036822-34
0.712
EDG-MED-90036822-31
0.709
EDG-MED-90036822-86
0.707
EDG-MED-90036822-43
0.706
EDG-MED-90036822-62
0.705
EDG-MED-90036822-56
0.705
EDG-MED-90036822-61
0.698
VLA-UCB-34f3ed0c-4
0.697
EDG-MED-90036822-18
0.697
EDG-MED-90036822-54
0.694
EDG-MED-90036822-49
0.691
EDG-MED-90036822-19
0.690
EDG-MED-90036822-68
0.679
EDG-MED-90036822-29
0.667
EDG-MED-90036822-28
0.667
ALP-UNI-dbbfd3db-18
0.664
EDG-MED-90036822-93
0.664
EDG-MED-90036822-58
0.664
EDG-MED-90036822-59
0.664
ALP-UNI-dbbfd3db-7
0.661
EDG-MED-90036822-82
0.658
EDG-MED-90036822-47
0.657
EDG-MED-90036822-48
0.657
EDG-MED-90036822-60
0.655
EDG-MED-90036822-11
0.654
EDG-MED-90036822-10
0.654
ALP-UNI-dbbfd3db-1
0.653
EDG-MED-90036822-106
0.652
EDG-MED-90036822-96
0.652
EDG-MED-90036822-57
0.652
EDG-MED-90036822-63
0.651
EDG-MED-90036822-97
0.650
MAT-POS-2905de8c-2
0.647
EDG-MED-90036822-109
0.647
EDG-MED-90036822-24
0.645
ALP-UNI-dbbfd3db-16
0.645
ALP-UNI-dbbfd3db-12
0.644
EDJ-MED-6864a934-4
0.643
EDJ-MED-6864a934-3
0.643
EDG-MED-90036822-16
0.642
EDG-MED-90036822-15
0.642
EDG-MED-90036822-17
0.642
EDG-MED-90036822-44
0.642
EDG-MED-90036822-3
0.642
EDG-MED-90036822-4
0.642
EDG-MED-90036822-5
0.642
EDG-MED-90036822-36
0.640
EDG-MED-90036822-88
0.640
ALP-UNI-dbbfd3db-5
0.638
EDG-MED-90036822-33
0.636
EDG-MED-90036822-80
0.636
ALP-UNI-dbbfd3db-17
0.634
EDG-MED-90036822-87
0.634
KAD-UNI-8a629cb0-40
0.632
ALP-UNI-dbbfd3db-10
0.632
EDG-MED-90036822-83
0.632
EDG-MED-90036822-37
0.631
EDJ-MED-6864a934-10
0.631
EDJ-MED-6864a934-5
0.629
EDG-MED-90036822-25
0.629
EDG-MED-90036822-27
0.629
EDG-MED-90036822-102
0.628
KAD-UNI-8a629cb0-13
0.627
ALP-UNI-dbbfd3db-3
0.627
EDJ-MED-6864a934-9
0.627
ALP-UNI-dbbfd3db-8
0.627
EDG-MED-90036822-75
0.626
EDG-MED-90036822-74
0.626
EDG-MED-90036822-66
0.625
EDG-MED-90036822-72
0.625
EDJ-MED-6864a934-1
0.625
EDG-MED-90036822-26
0.624
EDG-MED-90036822-65
0.621
ALP-UNI-dbbfd3db-9
0.620
KAD-UNI-8a629cb0-37
0.620
EDG-MED-90036822-51
0.619
EDG-MED-90036822-84
0.616
EDG-MED-90036822-22
0.612
EDG-MED-90036822-40
0.610
EDG-MED-90036822-35
0.609
EDG-MED-90036822-76
0.609
EDG-MED-90036822-77
0.609
EDG-MED-90036822-71
0.608
EDG-MED-90036822-89
0.608
ALP-UNI-dbbfd3db-14
0.608
EDG-MED-90036822-110
0.607
EDG-MED-90036822-32
0.605
EDJ-MED-6d9ff7d0-9
0.604
EDG-MED-90036822-73
0.603
EDG-MED-90036822-94
0.603
EDG-MED-90036822-99
0.603
EDG-MED-90036822-79
0.603
EDG-MED-90036822-101
0.603
EDG-MED-90036822-45
0.602