Molecular Properties | |
SMILES: | CC1CN(S(C)(=O)=O)CCC1NC(=O)C[C@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 570.17 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 117.7 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
ALP-UNI-8e43a71e-5
1.000
ALP-POS-2da19ca7-7
1.000
ALP-POS-5bb456a5-1
1.000
ALP-POS-5bb456a5-2
1.000
EDJ-MED-d203f206-34
0.716
MAT-POS-5d65ec79-2
0.685
MAT-POS-f9802937-6
0.685
MAT-POS-f9802937-5
0.685
KAD-UNI-8a629cb0-23
0.661
ALP-UNI-3496895b-15
0.661
EDJ-MED-d203f206-4
0.661
ALP-UNI-8e43a71e-15
0.661
KAD-UNI-8a629cb0-44
0.659
EDJ-MED-d203f206-7
0.658
JAG-UCB-706446eb-7
0.656
EDJ-MED-d203f206-29
0.656
EDG-MED-971238d3-10
0.643
MAT-POS-45b13633-4
0.643
RAL-THA-58fba2bc-1
0.643
ALP-UNI-3496895b-9
0.640
ALP-UNI-76695c4f-8
0.640
ALP-UNI-8e43a71e-9
0.640
KAD-UNI-80f122c8-5
0.640
KAD-UNI-8a629cb0-17
0.640
KAD-UNI-8a629cb0-36
0.635
MAT-POS-5d65ec79-1
0.635
MAT-POS-45b13633-5
0.635
MAT-POS-f9802937-4
0.635
MAT-POS-f9802937-3
0.635
RAL-THA-e002e396-1
0.632
EDJ-MED-d203f206-13
0.631
EDG-MED-ba1ac7b9-2
0.631
EDJ-MED-d203f206-23
0.630
ALP-POS-67d5babe-4
0.630
EDJ-MED-d203f206-28
0.629
EDJ-MED-d203f206-1
0.628
CHO-MSK-a31cca77-1
0.628
EDG-MED-ba1ac7b9-15
0.627
EDG-MED-ba1ac7b9-7
0.626
KAD-UNI-8a629cb0-1
0.626
EDJ-MED-d203f206-43
0.624
EDJ-MED-d203f206-26
0.624
CHO-MSK-a31cca77-2
0.621
ALP-POS-67d5babe-3
0.618
RAL-THA-e002e396-2
0.617
ALP-UNI-3496895b-16
0.616
ALP-UNI-8e43a71e-16
0.616
CHO-MSK-a31cca77-4
0.615
EDJ-MED-d203f206-20
0.615
EDJ-MED-d203f206-2
0.615
EDG-MED-ba1ac7b9-1
0.613
MAT-POS-e6dd326d-4
0.612
EDJ-MED-d203f206-41
0.611
RAL-THA-e002e396-7
0.610
JAG-UCB-706446eb-6
0.610
EDJ-MED-d203f206-11
0.609
ALP-POS-67d5babe-2
0.609
EDJ-MED-d203f206-19
0.608
EDG-MED-ba1ac7b9-13
0.608
KAD-UNI-8a629cb0-42
0.608
ALP-UNI-3496895b-4
0.607
ALP-UNI-8e43a71e-4
0.607
RAL-THA-e002e396-8
0.605
MAT-POS-e6dd326d-5
0.605
RAL-THA-e002e396-5
0.602
EDG-MED-ba1ac7b9-3
0.602
EDG-MED-ba1ac7b9-30
0.602
EDJ-MED-d203f206-30
0.602
ALP-UNI-76695c4f-7
0.600
KAD-UNI-8a629cb0-15
0.600
ALP-UNI-8e43a71e-6
0.600
EDJ-MED-d203f206-18
0.600
EDG-MED-ba1ac7b9-25
0.600
ALP-UNI-3496895b-6
0.600
CHO-MSK-a31cca77-3
0.600
KAD-UNI-80f122c8-4
0.600
ALP-UNI-76695c4f-4
0.598
KAD-UNI-80f122c8-3
0.598
KAD-UNI-8a629cb0-7
0.598
KAD-UNI-8a629cb0-10
0.598
ALP-UNI-76695c4f-6
0.598
ALP-UNI-3496895b-3
0.598
KAD-UNI-80f122c8-2
0.598
ALP-UNI-8e43a71e-3
0.598
KAD-UNI-8a629cb0-46
0.598
EDJ-MED-d203f206-22
0.598
RAL-THA-e002e396-6
0.598
ALP-UNI-76695c4f-5
0.597
KAD-UNI-8a629cb0-8
0.597
EDG-MED-ba1ac7b9-28
0.597
EDG-MED-ba1ac7b9-8
0.597
EDG-MED-ba1ac7b9-27
0.595
ALP-POS-2da19ca7-8
0.595
KAD-UNI-8a629cb0-31
0.595
ALP-UNI-76695c4f-10
0.595
DAR-DIA-ecdbc7dd-13
0.595
MAT-POS-78e1d523-2
0.593
EDJ-MED-d203f206-42
0.592
EDJ-MED-d203f206-40
0.592
EDG-MED-ba1ac7b9-6
0.592