Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CS(=O)(=O)N2CCNCC2)CCOc2ccc(Cl)cc21 |
MW: | 500.13 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 100.63 |
cLogP: | 2.78 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-b3e365b9-1
RAL-THA-e002e396-9
0.840
RAL-THA-e002e396-1
0.747
RAL-THA-e002e396-2
0.747
RAL-THA-e002e396-6
0.740
RAL-THA-e002e396-5
0.725
RAL-THA-e002e396-7
0.718
RAL-THA-e002e396-8
0.712
RAL-THA-e002e396-3
0.698
RAL-THA-e002e396-4
0.673
DAR-DIA-ecdbc7dd-13
0.670
MAT-POS-9db1e783-2
0.663
EDG-MED-971238d3-2
0.663
RAL-THA-58fba2bc-3
0.660
MAT-POS-45b13633-4
0.660
EDG-MED-971238d3-3
0.660
RAL-THA-58fba2bc-1
0.660
EDG-MED-971238d3-10
0.660
DAR-DIA-ecdbc7dd-4
0.657
MAT-POS-e6dd326d-4
0.657
EDG-MED-971238d3-5
0.657
MAT-POS-2bb0cf2b-1
0.657
MAT-POS-45b13633-1
0.657
MAT-POS-e6dd326d-1
0.657
MAT-POS-e6dd326d-2
0.650
MAT-POS-45b13633-2
0.650
EDG-MED-ba1ac7b9-2
0.646
DAR-DIA-ecdbc7dd-3
0.645
EDG-MED-971238d3-6
0.644
EDG-MED-971238d3-9
0.644
JAG-UCB-706446eb-3
0.644
MAT-POS-f9802937-6
0.642
MAT-POS-f9802937-5
0.642
MAT-POS-5d65ec79-2
0.642
EDG-MED-971238d3-7
0.642
MAT-POS-45b13633-3
0.638
MAT-POS-e6dd326d-3
0.638
MAT-POS-45b13633-5
0.636
MAT-POS-5d65ec79-1
0.636
MAT-POS-f9802937-3
0.636
MAT-POS-f9802937-4
0.636
DAR-DIA-ecdbc7dd-5
0.633
MAT-POS-e6dd326d-5
0.633
DAR-DIA-ecdbc7dd-11
0.633
RAL-THA-e002e396-11
0.632
DAR-DIA-6a508060-13
0.627
EDJ-MED-f893e2a1-8
0.626
MAT-POS-e6dd326d-9
0.626
EDG-MED-971238d3-8
0.626
DAR-DIA-ecdbc7dd-2
0.622
DAR-DIA-ecdbc7dd-18
0.622
EDJ-MED-15e90dfc-7
0.622
EDJ-MED-424a8a89-2
0.620
EDJ-MED-28ec730d-2
0.620
RAL-THA-e002e396-13
0.618
MAT-POS-e6dd326d-8
0.615
MAT-POS-e6dd326d-11
0.615
MAT-POS-e6dd326d-12
0.615
ALP-POS-477dc5b7-3
0.615
RAL-THA-e002e396-12
0.615
DAR-DIA-ecdbc7dd-16
0.613
EDG-MED-ba1ac7b9-7
0.612
EDJ-MED-d203f206-41
0.610
MAT-POS-e6dd326d-6
0.609
MAT-POS-e6dd326d-7
0.607
EDJ-MED-d203f206-19
0.607
EDJ-MED-28ec730d-1
0.604
EDJ-MED-d203f206-42
0.603
EDJ-MED-15e90dfc-5
0.602
KAD-UNI-8a629cb0-17
0.600
EDJ-MED-d203f206-38
0.600
ALP-UNI-3496895b-9
0.600
ALP-UNI-76695c4f-8
0.600
ALP-UNI-8e43a71e-9
0.600
KAD-UNI-80f122c8-5
0.600
ALP-POS-2da19ca7-5
0.598
ALP-POS-5bb456a5-6
0.598
ALP-POS-5bb456a5-5
0.598
EDJ-MED-d203f206-37
0.598
EDG-MED-ba1ac7b9-1
0.598
EDJ-MED-00143744-2
0.598
EDJ-MED-fcba3f31-7
0.598
EDJ-MED-40433386-10
0.598
EDJ-MED-424a8a89-1
0.598
MAT-POS-e6dd326d-10
0.598
MAT-POS-e6dd326d-13
0.598
EDJ-MED-15e90dfc-3
0.598
JAG-UCB-706446eb-2
0.598
JAG-UCB-706446eb-4
0.598
EDJ-MED-15e90dfc-2
0.596
EDJ-MED-8c98ee63-1
0.596
KAD-UNI-8a629cb0-36
0.595
KAD-UNI-8a629cb0-39
0.595
JAG-UCB-706446eb-6
0.595
KAD-UNI-8a629cb0-26
0.595
ALP-UNI-76695c4f-10
0.593
KAD-UNI-8a629cb0-31
0.593
KAD-UNI-8a629cb0-27
0.593
EDG-MED-70ae9412-2
0.593
ALP-POS-9c80c481-1
0.593
EDJ-MED-f893e2a1-3
0.593