Molecular Properties | |
SMILES: | Cn1cc(C2=NOC(C(=O)N[C@@]3(C(=O)Nc4cncc5ccccc45)CCOc4ccc(Cl)cc43)C2)cn1 |
MW: | 530.15 |
Fraction sp3: | 0.22 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 119.73 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-90036822-86
0.667
EDG-MED-90036822-74
0.664
EDG-MED-90036822-75
0.664
EDG-MED-90036822-83
0.655
EDG-MED-90036822-10
0.649
EDG-MED-90036822-11
0.649
EDG-MED-90036822-28
0.645
EDG-MED-90036822-29
0.645
EDG-MED-90036822-65
0.644
EDG-MED-90036822-34
0.643
MAT-POS-24589f88-11
0.634
ALP-UNI-dbbfd3db-6
0.634
EDG-MED-90036822-64
0.633
EDG-MED-90036822-33
0.632
EDG-MED-90036822-63
0.631
EDG-MED-90036822-13
0.627
EDG-MED-90036822-73
0.627
EDG-MED-90036822-7
0.624
EDG-MED-90036822-85
0.624
EDG-MED-90036822-15
0.623
EDG-MED-90036822-48
0.623
EDG-MED-90036822-47
0.623
EDG-MED-90036822-2
0.622
EDG-MED-90036822-76
0.619
EDG-MED-90036822-77
0.619
EDG-MED-90036822-80
0.617
EDG-MED-90036822-100
0.616
ALP-UNI-dbbfd3db-4
0.616
EDG-MED-90036822-21
0.614
EDG-MED-90036822-9
0.614
EDG-MED-90036822-94
0.613
EDG-MED-90036822-101
0.613
EDG-MED-90036822-37
0.612
MAT-POS-2905de8c-2
0.611
EDG-MED-90036822-24
0.611
EDG-MED-90036822-4
0.609
EDG-MED-90036822-16
0.609
EDG-MED-90036822-3
0.609
EDG-MED-90036822-17
0.609
EDG-MED-90036822-62
0.609
EDG-MED-90036822-5
0.609
EDG-MED-90036822-103
0.608
EDG-MED-90036822-42
0.607
EDG-MED-90036822-61
0.603
ALP-UNI-dbbfd3db-15
0.603
EDG-MED-90036822-87
0.602
EDG-MED-90036822-68
0.602
EDG-MED-90036822-69
0.602
EDG-MED-90036822-70
0.602
EDG-MED-90036822-25
0.598
EDJ-MED-6864a934-10
0.598
EDG-MED-90036822-102
0.597
EDG-MED-90036822-78
0.597
EDG-MED-90036822-98
0.595
EDG-MED-90036822-50
0.595
EDG-MED-90036822-60
0.595
EDG-MED-90036822-81
0.595
EDG-MED-90036822-44
0.595
EDG-MED-90036822-56
0.595
EDG-MED-90036822-26
0.593
EDG-MED-90036822-97
0.592
EDG-MED-90036822-18
0.592
EDG-MED-90036822-35
0.592
EDG-MED-90036822-93
0.590
EDG-MED-90036822-19
0.589
EDG-MED-90036822-109
0.589
EDG-MED-90036822-55
0.589
EDG-MED-90036822-51
0.588
EDG-MED-90036822-43
0.587
EDG-MED-90036822-99
0.587
EDG-MED-90036822-84
0.585
KAD-UNI-8a629cb0-13
0.584
ALP-UNI-dbbfd3db-3
0.584
EDG-MED-90036822-36
0.582
EDG-MED-90036822-41
0.581
EDG-MED-90036822-66
0.580
EDG-MED-90036822-72
0.580
EDJ-MED-6864a934-1
0.580
EDG-MED-90036822-108
0.577
EDG-MED-90036822-110
0.577
EDG-MED-90036822-54
0.577
EDJ-MED-6864a934-7
0.576
EDG-MED-90036822-58
0.575
EDG-MED-90036822-59
0.575
EDG-MED-90036822-32
0.575
EDG-MED-90036822-49
0.574
EDG-MED-90036822-79
0.574
EDG-MED-90036822-95
0.573
EDJ-MED-6864a934-5
0.573
EDG-MED-90036822-27
0.573
EDG-MED-90036822-105
0.573
EDJ-MED-6864a934-3
0.573
EDG-MED-90036822-6
0.571
EDG-MED-90036822-14
0.571
ALP-UNI-dbbfd3db-8
0.571
EDJ-MED-6864a934-8
0.571
EDG-MED-90036822-53
0.570
EDG-MED-90036822-107
0.570
EDG-MED-90036822-90
0.569
EDG-MED-90036822-40
0.568