Molecular Properties | |
SMILES: | CS(=O)(=O)CC1CCN(C(=O)CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 555.16 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 105.67 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
KAD-UNI-80f122c8-3
ALP-UNI-3496895b-9
0.835
KAD-UNI-8a629cb0-17
0.835
ALP-UNI-76695c4f-8
0.835
KAD-UNI-80f122c8-5
0.835
ALP-UNI-8e43a71e-9
0.835
ALP-POS-67d5babe-3
0.784
EDG-MED-ba1ac7b9-28
0.763
ALP-POS-5bb456a5-5
0.750
ALP-POS-5bb456a5-6
0.750
ALP-POS-2da19ca7-5
0.750
ALP-UNI-3496895b-11
0.748
ALP-UNI-8e43a71e-11
0.748
EDJ-MED-d203f206-37
0.741
ALP-POS-2da19ca7-4
0.737
KAD-UNI-8a629cb0-5
0.737
ALP-UNI-76695c4f-2
0.737
EDG-MED-ba1ac7b9-4
0.720
EDJ-MED-d203f206-40
0.712
EDG-MED-ba1ac7b9-32
0.712
EDJ-MED-d203f206-26
0.707
EDJ-MED-d203f206-43
0.707
ALP-UNI-3496895b-6
0.706
KAD-UNI-8a629cb0-15
0.706
ALP-UNI-76695c4f-7
0.706
ALP-UNI-8e43a71e-6
0.706
KAD-UNI-80f122c8-4
0.706
KAD-UNI-8a629cb0-31
0.704
ALP-UNI-76695c4f-10
0.704
KAD-UNI-8a629cb0-8
0.703
ALP-UNI-76695c4f-5
0.703
EDG-MED-ba1ac7b9-5
0.703
EDG-MED-ba1ac7b9-2
0.702
ALP-POS-5bb456a5-7
0.700
EDG-MED-ba1ac7b9-33
0.700
ALP-POS-2da19ca7-2
0.700
ALP-POS-5bb456a5-8
0.700
EDJ-MED-d203f206-10
0.697
ALP-POS-5bb456a5-10
0.697
KAD-UNI-8a629cb0-33
0.697
ALP-POS-2da19ca7-1
0.697
ALP-POS-5bb456a5-9
0.697
EDG-MED-ba1ac7b9-7
0.696
ALP-UNI-8e43a71e-8
0.695
ALP-UNI-3496895b-8
0.695
EDJ-MED-d203f206-9
0.695
EDG-MED-ba1ac7b9-31
0.694
RAL-THA-e002e396-1
0.692
KAD-UNI-8a629cb0-7
0.689
ALP-UNI-76695c4f-4
0.689
KAD-UNI-80f122c8-3
0.689
ALP-UNI-76695c4f-9
0.683
KAD-UNI-8a629cb0-21
0.683
ALP-UNI-3496895b-7
0.683
ALP-UNI-8e43a71e-7
0.683
ALP-UNI-8e43a71e-10
0.683
ALP-UNI-3496895b-10
0.683
EDG-MED-ba1ac7b9-1
0.681
EDG-MED-ba1ac7b9-15
0.681
EDJ-MED-d203f206-41
0.678
EDG-MED-ba1ac7b9-14
0.678
EDG-MED-ba1ac7b9-25
0.678
EDJ-MED-d203f206-19
0.675
EDJ-MED-d203f206-25
0.675
EDJ-MED-d203f206-27
0.675
EDJ-MED-d203f206-35
0.675
MAT-POS-45b13633-4
0.673
EDG-MED-971238d3-10
0.673
RAL-THA-58fba2bc-1
0.673
MAT-POS-f9802937-5
0.670
MAT-POS-5d65ec79-2
0.670
MAT-POS-f9802937-6
0.670
EDJ-MED-d203f206-36
0.669
EDJ-MED-d203f206-38
0.667
EDJ-MED-d203f206-22
0.664
MAT-POS-f9802937-4
0.664
MAT-POS-5d65ec79-1
0.664
MAT-POS-f9802937-3
0.664
MAT-POS-45b13633-5
0.664
EDJ-MED-d203f206-39
0.661
EDG-MED-ba1ac7b9-13
0.661
MAT-POS-e6dd326d-4
0.655
EDJ-MED-d203f206-30
0.653
EDJ-MED-d203f206-32
0.651
KAD-UNI-8a629cb0-10
0.650
ALP-UNI-3496895b-3
0.650
ALP-UNI-76695c4f-6
0.650
ALP-UNI-8e43a71e-3
0.650
KAD-UNI-80f122c8-2
0.650
EDJ-MED-15e90dfc-7
0.649
EDJ-MED-d203f206-8
0.648
KAD-UNI-8a629cb0-42
0.647
KAD-UNI-8a629cb0-6
0.646
ALP-UNI-76695c4f-3
0.646
ALP-POS-2da19ca7-3
0.646
RAL-THA-e002e396-2
0.645
EDG-MED-ba1ac7b9-27
0.645
EDJ-MED-d203f206-15
0.642
EDJ-MED-d203f206-42
0.642
ALP-UNI-3496895b-13
0.641
ALP-UNI-8e43a71e-13
0.641