Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(CNC(=O)C[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cc1 |
MW: | 564.12 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 140.48 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-3496895b-16
1.000
KAD-UNI-b13decd3-3
0.759
MAT-POS-24589f88-12
0.759
MAT-POS-f9802937-5
0.735
MAT-POS-5d65ec79-2
0.735
MAT-POS-f9802937-6
0.735
MAT-POS-45b13633-4
0.706
RAL-THA-58fba2bc-1
0.706
EDG-MED-971238d3-10
0.706
MAT-POS-45b13633-5
0.695
KAD-UNI-8a629cb0-46
0.693
KAD-UNI-8a629cb0-2
0.690
ALP-UNI-76695c4f-1
0.690
KAD-UNI-80f122c8-1
0.690
RAL-THA-e002e396-6
0.686
MAT-POS-5d65ec79-1
0.679
MAT-POS-f9802937-4
0.679
MAT-POS-f9802937-3
0.679
MAT-POS-e6dd326d-1
0.670
MAT-POS-2bb0cf2b-1
0.670
MAT-POS-45b13633-1
0.670
EDG-MED-971238d3-5
0.670
EDJ-MED-d203f206-1
0.670
EDJ-MED-d203f206-20
0.670
EDJ-MED-d203f206-2
0.670
CHO-MSK-a31cca77-1
0.670
CHO-MSK-a31cca77-4
0.670
JAG-UCB-706446eb-6
0.664
ALP-POS-67d5babe-2
0.661
RAL-THA-e002e396-2
0.660
RAL-THA-e002e396-1
0.660
EDJ-MED-d203f206-34
0.658
EDJ-MED-d203f206-7
0.658
EDJ-MED-d203f206-13
0.658
JAG-UCB-706446eb-7
0.655
EDJ-MED-d203f206-18
0.652
CHO-MSK-a31cca77-3
0.652
RAL-THA-e002e396-7
0.651
CHO-MSK-a31cca77-2
0.647
RAL-THA-e002e396-8
0.645
RAL-THA-e002e396-11
0.645
MAT-POS-9db1e783-2
0.644
EDG-MED-971238d3-2
0.644
RAL-THA-e002e396-5
0.642
EDG-MED-971238d3-6
0.642
EDJ-MED-d203f206-12
0.641
EDJ-MED-d203f206-29
0.641
MAT-POS-e6dd326d-4
0.639
MAT-POS-e6dd326d-6
0.636
RAL-THA-e002e396-3
0.634
MAT-POS-78e1d523-2
0.633
MAT-POS-45b13633-2
0.632
MAT-POS-e6dd326d-2
0.632
MAT-POS-e6dd326d-5
0.631
EDG-MED-ba1ac7b9-2
0.629
EDG-MED-ba1ac7b9-6
0.629
RAL-THA-e002e396-12
0.627
RAL-THA-58fba2bc-3
0.626
JAG-UCB-706446eb-3
0.626
EDG-MED-971238d3-3
0.626
EDG-MED-971238d3-9
0.626
EDG-MED-ba1ac7b9-3
0.626
ALP-UNI-0676e700-13
0.625
EDJ-MED-d203f206-37
0.624
EDG-MED-ba1ac7b9-1
0.624
EDG-MED-971238d3-8
0.624
MAT-POS-e6dd326d-9
0.624
EDG-MED-971238d3-7
0.624
EDJ-MED-d203f206-22
0.622
EDG-MED-ba1ac7b9-8
0.621
MAT-POS-e6dd326d-3
0.620
MAT-POS-45b13633-3
0.620
DAR-DIA-ecdbc7dd-13
0.620
KAD-UNI-b13decd3-4
0.620
MAT-POS-24589f88-9
0.620
MAT-POS-7174c657-4
0.620
EDJ-MED-d203f206-11
0.620
EDJ-MED-d203f206-19
0.619
KAD-UNI-8a629cb0-42
0.619
EDJ-MED-28ec730d-2
0.618
ALP-POS-2da19ca7-8
0.618
ALP-UNI-3496895b-5
0.616
ALP-POS-5bb456a5-2
0.616
ALP-POS-2da19ca7-7
0.616
ALP-POS-5bb456a5-1
0.616
ALP-UNI-8e43a71e-5
0.616
EDJ-MED-d203f206-23
0.615
MAT-POS-e6dd326d-12
0.613
MAT-POS-e6dd326d-8
0.613
MAT-POS-e6dd326d-11
0.613
RAL-THA-e002e396-4
0.612
ALP-UNI-76695c4f-8
0.612
MAT-POS-3b97339c-3
0.612
ALP-UNI-8e43a71e-9
0.612
EDJ-MED-40433386-2
0.612
EDJ-MED-4c7486ba-8
0.612
EDJ-MED-4c7486ba-11
0.612
ALP-UNI-3496895b-9
0.612
KAD-UNI-8a629cb0-17
0.612
KAD-UNI-80f122c8-5
0.612