Molecular Properties | |
SMILES: | O=C(CCF)C(=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 455.1 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 97.39 |
cLogP: | 3.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
diketo group
α-Diketones
Ketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Long aliphatic chain
Beta halo carbonyl
Oxalyl
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-100
0.822
EDG-MED-90036822-86
0.775
EDG-MED-90036822-2
0.772
EDG-MED-90036822-13
0.761
EDG-MED-90036822-51
0.755
EDG-MED-90036822-17
0.750
EDG-MED-90036822-3
0.750
EDG-MED-90036822-4
0.750
EDG-MED-90036822-5
0.750
EDG-MED-90036822-16
0.750
EDG-MED-90036822-63
0.745
EDG-MED-90036822-24
0.737
EDG-MED-90036822-15
0.732
EDG-MED-90036822-29
0.726
EDG-MED-90036822-28
0.726
EDG-MED-90036822-96
0.723
EDG-MED-90036822-9
0.722
EDG-MED-90036822-34
0.722
EDG-MED-90036822-21
0.722
EDG-MED-90036822-58
0.720
EDG-MED-90036822-59
0.720
EDG-MED-90036822-62
0.714
EDG-MED-90036822-47
0.714
EDG-MED-90036822-48
0.714
EDG-MED-90036822-56
0.714
EDG-MED-90036822-11
0.711
EDG-MED-90036822-10
0.711
EDG-MED-90036822-88
0.709
EDG-MED-90036822-33
0.707
EDG-MED-90036822-61
0.707
MAT-POS-2905de8c-2
0.707
EDG-MED-90036822-106
0.706
EDG-MED-90036822-87
0.703
EDG-MED-90036822-68
0.703
EDG-MED-90036822-65
0.702
EDG-MED-90036822-37
0.700
EDG-MED-90036822-84
0.700
EDG-MED-90036822-102
0.696
EDG-MED-90036822-66
0.693
EDG-MED-90036822-72
0.693
EDJ-MED-6864a934-1
0.693
EDG-MED-90036822-80
0.690
EDG-MED-90036822-57
0.689
EDG-MED-90036822-76
0.689
EDG-MED-90036822-77
0.689
EDG-MED-90036822-32
0.686
EDG-MED-90036822-108
0.686
EDJ-MED-6864a934-10
0.683
EDG-MED-90036822-79
0.683
EDG-MED-90036822-101
0.683
EDG-MED-90036822-78
0.680
EDG-MED-90036822-85
0.680
EDG-MED-90036822-107
0.680
EDG-MED-90036822-27
0.679
EDG-MED-90036822-103
0.676
EDG-MED-90036822-81
0.676
EDG-MED-90036822-18
0.673
EDG-MED-90036822-35
0.673
VLA-UCB-34f3ed0c-4
0.673
EDG-MED-90036822-110
0.670
EDG-MED-90036822-43
0.667
ALP-UNI-dbbfd3db-7
0.667
EDG-MED-90036822-67
0.667
EDG-MED-90036822-69
0.667
EDG-MED-90036822-83
0.667
EDG-MED-90036822-94
0.667
EDG-MED-90036822-99
0.667
EDG-MED-90036822-70
0.667
EDG-MED-90036822-49
0.667
EDG-MED-90036822-1
0.664
EDJ-MED-6864a934-5
0.664
EDG-MED-90036822-52
0.664
EDG-MED-90036822-105
0.664
EDG-MED-90036822-36
0.660
EDG-MED-90036822-90
0.660
EDG-MED-90036822-50
0.660
EDG-MED-90036822-75
0.660
EDG-MED-90036822-74
0.660
EDG-MED-90036822-64
0.657
EDG-MED-90036822-91
0.657
EDG-MED-90036822-40
0.657
EDG-MED-90036822-8
0.654
EDG-MED-90036822-20
0.654
EDG-MED-90036822-93
0.654
EDG-MED-90036822-31
0.654
EDG-MED-90036822-54
0.654
EDJ-MED-6d9ff7d0-9
0.653
EDG-MED-90036822-109
0.651
EDG-MED-90036822-38
0.651
EDG-MED-90036822-30
0.651
EDG-MED-90036822-73
0.651
EDG-MED-90036822-82
0.648
EDG-MED-90036822-25
0.648
EDG-MED-90036822-45
0.648
EDG-MED-90036822-95
0.648
EDG-MED-90036822-39
0.645
EDG-MED-90036822-46
0.645
EDJ-MED-6864a934-8
0.645
EDJ-MED-6864a934-9
0.645
ALP-UNI-dbbfd3db-8
0.645