Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CS(=O)(=O)N2CCOCC2)CCOc2ccc(Cl)cc21 |
MW: | 501.11 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.83 |
cLogP: | 3.21 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-b3e365b9-1
RAL-THA-e002e396-10
0.840
RAL-THA-e002e396-2
0.763
RAL-THA-e002e396-1
0.763
RAL-THA-e002e396-6
0.755
RAL-THA-e002e396-5
0.740
RAL-THA-e002e396-7
0.733
RAL-THA-e002e396-8
0.725
RAL-THA-e002e396-3
0.712
DAR-DIA-ecdbc7dd-5
0.709
RAL-THA-e002e396-4
0.685
DAR-DIA-ecdbc7dd-13
0.683
EDG-MED-971238d3-2
0.677
MAT-POS-9db1e783-2
0.677
EDG-MED-971238d3-3
0.673
RAL-THA-58fba2bc-3
0.673
EDG-MED-971238d3-10
0.673
MAT-POS-45b13633-4
0.673
RAL-THA-58fba2bc-1
0.673
EDG-MED-971238d3-5
0.670
MAT-POS-e6dd326d-1
0.670
MAT-POS-2bb0cf2b-1
0.670
MAT-POS-45b13633-1
0.670
DAR-DIA-ecdbc7dd-4
0.670
MAT-POS-e6dd326d-4
0.670
MAT-POS-45b13633-5
0.663
MAT-POS-e6dd326d-2
0.663
MAT-POS-45b13633-2
0.663
EDG-MED-ba1ac7b9-2
0.658
DAR-DIA-ecdbc7dd-3
0.657
EDG-MED-971238d3-9
0.657
EDG-MED-971238d3-6
0.657
JAG-UCB-706446eb-3
0.657
EDG-MED-971238d3-7
0.654
MAT-POS-5d65ec79-2
0.654
MAT-POS-f9802937-5
0.654
MAT-POS-f9802937-6
0.654
MAT-POS-45b13633-3
0.650
MAT-POS-e6dd326d-3
0.650
MAT-POS-f9802937-3
0.648
MAT-POS-f9802937-4
0.648
MAT-POS-5d65ec79-1
0.648
DAR-DIA-ecdbc7dd-11
0.645
MAT-POS-e6dd326d-5
0.645
RAL-THA-e002e396-11
0.644
DAR-DIA-6a508060-13
0.639
EDG-MED-971238d3-8
0.638
MAT-POS-e6dd326d-9
0.638
EDJ-MED-f893e2a1-8
0.638
EDJ-MED-d203f206-38
0.638
EDG-MED-ba1ac7b9-7
0.637
KAD-UNI-8a629cb0-39
0.634
EDJ-MED-15e90dfc-7
0.633
DAR-DIA-ecdbc7dd-2
0.633
DAR-DIA-ecdbc7dd-18
0.633
EDJ-MED-424a8a89-2
0.632
EDJ-MED-28ec730d-2
0.632
EDJ-MED-f893e2a1-9
0.627
ALP-POS-477dc5b7-3
0.626
MAT-POS-e6dd326d-8
0.626
MAT-POS-e6dd326d-11
0.626
MAT-POS-e6dd326d-12
0.626
RAL-THA-e002e396-12
0.626
ALP-UNI-3496895b-9
0.624
ALP-UNI-8e43a71e-9
0.624
KAD-UNI-80f122c8-5
0.624
KAD-UNI-8a629cb0-17
0.624
ALP-UNI-76695c4f-8
0.624
KAD-UNI-cb0f2bbc-18
0.624
MAT-POS-61f37a1a-9
0.624
DAR-DIA-ecdbc7dd-16
0.624
JAG-UCB-706446eb-4
0.624
EDJ-MED-d203f206-37
0.623
EDG-MED-ba1ac7b9-1
0.623
EDJ-MED-d203f206-41
0.621
MAT-POS-e6dd326d-6
0.620
KAD-UNI-8a629cb0-26
0.619
EDJ-MED-d203f206-19
0.617
KAD-UNI-8a629cb0-27
0.617
RAL-THA-e002e396-13
0.615
EDJ-MED-28ec730d-1
0.615
ALP-POS-67d5babe-4
0.613
EDG-MED-ba1ac7b9-32
0.613
EDJ-MED-15e90dfc-5
0.613
KAD-UNI-8a629cb0-14
0.612
CHO-MSK-a31cca77-4
0.611
EDJ-MED-d203f206-2
0.611
EDG-MED-ba1ac7b9-15
0.610
EDJ-MED-424a8a89-1
0.609
EDJ-MED-40433386-10
0.609
EDJ-MED-15e90dfc-3
0.609
JAG-UCB-706446eb-2
0.609
MAT-POS-e6dd326d-10
0.609
MAT-POS-e6dd326d-13
0.609
EDJ-MED-8c98ee63-1
0.607
JAG-UCB-706446eb-1
0.607
EDJ-MED-d203f206-26
0.607
EDJ-MED-d203f206-22
0.607
EDJ-MED-d203f206-43
0.607
KAD-UNI-8a629cb0-36
0.605
EDJ-MED-4c7486ba-1
0.604