Molecular Properties | |
SMILES: | CS(=O)(=O)CC1CCCN(C(=O)CC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)C1 |
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
EDJ-MED-d203f206-27
0.788
ALP-POS-67d5babe-4
0.784
EDJ-MED-d203f206-26
0.765
EDJ-MED-d203f206-43
0.765
KAD-UNI-80f122c8-5
0.737
ALP-UNI-8e43a71e-9
0.737
KAD-UNI-8a629cb0-17
0.737
ALP-UNI-76695c4f-8
0.737
ALP-UNI-3496895b-9
0.737
EDJ-MED-d203f206-40
0.711
EDJ-MED-d203f206-10
0.697
EDJ-MED-d203f206-41
0.692
EDG-MED-ba1ac7b9-14
0.691
EDG-MED-ba1ac7b9-25
0.691
EDJ-MED-d203f206-39
0.689
EDJ-MED-d203f206-25
0.689
EDJ-MED-d203f206-21
0.688
EDG-MED-ba1ac7b9-7
0.681
EDJ-MED-d203f206-37
0.681
EDJ-MED-d203f206-22
0.678
EDG-MED-ba1ac7b9-4
0.677
EDJ-MED-d203f206-19
0.675
EDG-MED-ba1ac7b9-28
0.675
KAD-UNI-80f122c8-3
0.675
EDJ-MED-d203f206-35
0.675
KAD-UNI-8a629cb0-7
0.675
ALP-UNI-76695c4f-4
0.675
EDG-MED-ba1ac7b9-2
0.672
EDG-MED-ba1ac7b9-15
0.667
EDJ-MED-d203f206-9
0.667
EDG-MED-ba1ac7b9-31
0.667
ALP-UNI-76695c4f-7
0.664
KAD-UNI-80f122c8-4
0.664
ALP-POS-2da19ca7-5
0.664
ALP-POS-5bb456a5-6
0.664
KAD-UNI-8a629cb0-15
0.664
ALP-UNI-3496895b-6
0.664
ALP-UNI-8e43a71e-6
0.664
ALP-POS-5bb456a5-5
0.664
EDJ-MED-d203f206-8
0.661
ALP-UNI-76695c4f-10
0.661
KAD-UNI-8a629cb0-31
0.661
EDG-MED-ba1ac7b9-32
0.656
EDJ-MED-d203f206-36
0.656
MAT-POS-f9802937-5
0.655
MAT-POS-f9802937-6
0.655
MAT-POS-5d65ec79-2
0.655
ALP-UNI-76695c4f-2
0.654
ALP-POS-2da19ca7-4
0.654
KAD-UNI-8a629cb0-5
0.654
EDG-MED-ba1ac7b9-1
0.653
EDJ-MED-d203f206-24
0.649
ALP-UNI-76695c4f-5
0.648
EDG-MED-ba1ac7b9-5
0.648
KAD-UNI-8a629cb0-8
0.648
EDG-MED-ba1ac7b9-13
0.648
RAL-THA-e002e396-1
0.646
ALP-POS-2da19ca7-2
0.646
EDG-MED-ba1ac7b9-33
0.646
ALP-POS-5bb456a5-7
0.646
ALP-POS-5bb456a5-8
0.646
EDG-MED-971238d3-10
0.643
ALP-POS-5bb456a5-9
0.643
EDJ-MED-d203f206-15
0.643
MAT-POS-45b13633-4
0.643
KAD-UNI-8a629cb0-33
0.643
ALP-POS-2da19ca7-1
0.643
ALP-POS-5bb456a5-10
0.643
EDJ-MED-d203f206-42
0.643
RAL-THA-58fba2bc-1
0.643
MAT-POS-e6dd326d-4
0.640
ALP-UNI-3496895b-8
0.640
EDJ-MED-d203f206-30
0.640
EDJ-MED-d203f206-38
0.640
ALP-UNI-8e43a71e-8
0.640
ALP-UNI-3496895b-11
0.638
EDJ-MED-d203f206-32
0.638
ALP-UNI-8e43a71e-11
0.638
ALP-UNI-3496895b-3
0.637
KAD-UNI-8a629cb0-10
0.637
ALP-UNI-76695c4f-6
0.637
KAD-UNI-80f122c8-2
0.637
ALP-UNI-8e43a71e-3
0.637
MAT-POS-f9802937-3
0.635
MAT-POS-f9802937-4
0.635
MAT-POS-45b13633-5
0.635
MAT-POS-5d65ec79-1
0.635
KAD-UNI-8a629cb0-42
0.634
EDG-MED-ba1ac7b9-21
0.634
EDG-MED-ba1ac7b9-26
0.633
EDG-MED-ba1ac7b9-27
0.633
ALP-UNI-8e43a71e-7
0.630
KAD-UNI-8a629cb0-21
0.630
ALP-UNI-3496895b-10
0.630
ALP-UNI-76695c4f-9
0.630
ALP-UNI-3496895b-7
0.630
ALP-UNI-8e43a71e-10
0.630
JAG-UCB-706446eb-7
0.629
EDG-MED-ba1ac7b9-18
0.628
ALP-UNI-8e43a71e-2
0.623