Molecular Properties | |
SMILES: | NC(=O)C1CCN1C/C=C/C(=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 519.17 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 126.65 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
vinyl michael acceptor1
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-2
0.645
EDG-MED-90036822-86
0.645
EDG-MED-90036822-11
0.643
EDG-MED-90036822-10
0.643
EDG-MED-90036822-100
0.640
EDG-MED-90036822-13
0.636
EDG-MED-90036822-3
0.632
EDG-MED-90036822-15
0.632
EDG-MED-90036822-4
0.632
EDG-MED-90036822-5
0.632
EDG-MED-90036822-61
0.626
EDG-MED-90036822-29
0.625
EDG-MED-90036822-28
0.625
EDG-MED-90036822-63
0.625
EDG-MED-90036822-109
0.623
EDG-MED-90036822-21
0.623
EDG-MED-90036822-73
0.622
EDG-MED-90036822-17
0.617
EDG-MED-90036822-16
0.617
EDG-MED-90036822-35
0.613
EDG-MED-90036822-108
0.612
EDG-MED-90036822-51
0.610
EDG-MED-90036822-68
0.610
EDG-MED-90036822-34
0.609
EDG-MED-90036822-9
0.609
EDG-MED-90036822-83
0.608
EDG-MED-90036822-101
0.608
EDJ-MED-6864a934-10
0.607
EDG-MED-90036822-25
0.607
EDG-MED-90036822-24
0.605
EDG-MED-90036822-78
0.605
EDG-MED-90036822-44
0.603
EDG-MED-90036822-62
0.603
EDG-MED-90036822-47
0.603
EDG-MED-90036822-48
0.603
EDG-MED-90036822-56
0.603
EDG-MED-90036822-75
0.603
EDG-MED-90036822-81
0.603
EDG-MED-90036822-74
0.603
EDG-MED-90036822-98
0.603
EDJ-MED-6864a934-1
0.602
EDG-MED-90036822-65
0.598
EDG-MED-90036822-33
0.598
EDG-MED-90036822-80
0.598
EDG-MED-90036822-59
0.597
EDG-MED-90036822-58
0.597
EDG-MED-90036822-99
0.595
EDG-MED-90036822-37
0.593
EDG-MED-90036822-14
0.592
KAD-UNI-8a629cb0-13
0.592
ALP-UNI-dbbfd3db-3
0.592
EDG-MED-90036822-102
0.592
MAT-POS-2905de8c-2
0.591
EDG-MED-90036822-103
0.590
EDG-MED-90036822-90
0.590
EDG-MED-90036822-40
0.589
EDG-MED-90036822-64
0.589
ALP-UNI-dbbfd3db-5
0.589
EDG-MED-90036822-97
0.587
EDG-MED-90036822-76
0.587
VLA-UCB-34f3ed0c-4
0.587
EDG-MED-90036822-18
0.587
EDG-MED-90036822-57
0.587
EDG-MED-90036822-77
0.587
EDG-MED-90036822-96
0.587
EDG-MED-90036822-106
0.587
ALP-UNI-dbbfd3db-15
0.585
EDG-MED-90036822-20
0.585
EDG-MED-90036822-70
0.584
EDG-MED-90036822-55
0.584
EDG-MED-90036822-69
0.584
EDG-MED-90036822-87
0.583
EDG-MED-90036822-43
0.582
EDG-MED-90036822-94
0.582
EDG-MED-90036822-1
0.581
EDG-MED-90036822-27
0.581
EDG-MED-90036822-105
0.581
EDG-MED-90036822-95
0.581
EDG-MED-90036822-84
0.580
EDG-MED-90036822-6
0.579
EDG-MED-90036822-107
0.579
EDG-MED-90036822-85
0.579
EDG-MED-90036822-53
0.578
EDG-MED-90036822-88
0.577
EDG-MED-90036822-36
0.577
EDG-MED-90036822-60
0.577
EDG-MED-90036822-91
0.576
EDG-MED-90036822-26
0.576
EDG-MED-90036822-66
0.575
EDG-MED-90036822-72
0.575
EDG-MED-90036822-8
0.573
EDG-MED-90036822-54
0.573
EDG-MED-90036822-31
0.573
EDG-MED-90036822-19
0.571
EDJ-MED-6864a934-7
0.571
EDG-MED-90036822-32
0.570
EDG-MED-90036822-49
0.569
EDG-MED-90036822-67
0.569
EDG-MED-90036822-82
0.568
EDJ-MED-6864a934-2
0.568