Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CS(=O)(=O)c2ccccc2)CCOc2ccc(Cl)cc21 |
MW: | 492.09 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.36 |
cLogP: | 5.02 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
RAL-THA-e002e396-1
0.796
RAL-THA-e002e396-2
0.796
RAL-THA-e002e396-6
0.787
RAL-THA-e002e396-5
0.771
RAL-THA-e002e396-7
0.763
RAL-THA-e002e396-8
0.755
RAL-THA-e002e396-4
0.745
MAT-POS-9db1e783-2
0.723
EDG-MED-971238d3-2
0.723
MAT-POS-45b13633-4
0.719
RAL-THA-58fba2bc-1
0.719
EDG-MED-971238d3-10
0.719
RAL-THA-e002e396-9
0.712
JAG-UCB-706446eb-3
0.701
EDG-MED-971238d3-9
0.701
RAL-THA-e002e396-10
0.698
MAT-POS-2bb0cf2b-1
0.698
EDG-MED-971238d3-5
0.698
MAT-POS-e6dd326d-1
0.698
MAT-POS-45b13633-1
0.698
MAT-POS-e6dd326d-4
0.697
MAT-POS-45b13633-2
0.691
MAT-POS-e6dd326d-2
0.691
MAT-POS-5d65ec79-1
0.690
MAT-POS-f9802937-3
0.690
MAT-POS-f9802937-4
0.690
RAL-THA-e002e396-11
0.687
RAL-THA-e002e396-13
0.686
RAL-THA-58fba2bc-3
0.684
EDG-MED-971238d3-6
0.684
EDG-MED-971238d3-3
0.684
RAL-THA-e002e396-12
0.683
MAT-POS-f9802937-6
0.680
MAT-POS-f9802937-5
0.680
MAT-POS-5d65ec79-2
0.680
DAR-DIA-ecdbc7dd-4
0.680
MAT-POS-e6dd326d-9
0.680
MAT-POS-e6dd326d-3
0.677
MAT-POS-45b13633-3
0.677
DAR-DIA-ecdbc7dd-13
0.677
MAT-POS-45b13633-5
0.673
DAR-DIA-ecdbc7dd-11
0.670
MAT-POS-e6dd326d-5
0.670
DAR-DIA-ecdbc7dd-3
0.667
MAT-POS-e6dd326d-11
0.667
DAR-DIA-6a508060-13
0.663
EDG-MED-971238d3-7
0.663
EDJ-MED-f893e2a1-8
0.663
EDG-MED-971238d3-8
0.663
EDJ-MED-15e90dfc-7
0.657
EDJ-MED-424a8a89-2
0.657
EDJ-MED-28ec730d-2
0.657
ALP-POS-477dc5b7-3
0.650
MAT-POS-e6dd326d-12
0.650
MAT-POS-e6dd326d-8
0.650
MAT-POS-e6dd326d-6
0.644
EDJ-MED-f893e2a1-3
0.642
DAR-DIA-ecdbc7dd-2
0.642
ALP-POS-9c80c481-1
0.642
EDJ-MED-fcba3f31-2
0.639
EDJ-MED-28ec730d-1
0.638
DAR-DIA-ecdbc7dd-5
0.638
EDJ-MED-d203f206-7
0.636
EDG-MED-ba1ac7b9-2
0.636
EDJ-MED-40433386-4
0.636
ALP-UNI-3496895b-16
0.634
ALP-UNI-8e43a71e-16
0.634
EDG-MED-ba1ac7b9-3
0.633
JAG-UCB-706446eb-2
0.632
JAG-UCB-706446eb-4
0.632
MAT-POS-e6dd326d-13
0.632
DAR-DIA-ecdbc7dd-16
0.632
EDJ-MED-15e90dfc-3
0.632
MAT-POS-e6dd326d-10
0.632
EDJ-MED-424a8a89-1
0.632
EDJ-MED-40433386-10
0.632
KAD-UNI-b13decd3-3
0.631
EDJ-MED-00143744-2
0.631
MAT-POS-24589f88-12
0.631
EDJ-MED-fcba3f31-4
0.630
EDJ-MED-8c98ee63-1
0.630
EDJ-MED-fcba3f31-5
0.630
MAT-POS-fc9ede84-1
0.630
EDJ-MED-4c7486ba-4
0.626
EDJ-MED-4c7486ba-1
0.626
DAR-DIA-ecdbc7dd-18
0.626
MAT-POS-e6dd326d-7
0.626
EDG-MED-70ae9412-2
0.626
EDG-MED-ba1ac7b9-6
0.622
EDJ-MED-d203f206-34
0.622
EDJ-MED-15e90dfc-5
0.620
EDJ-MED-f893e2a1-9
0.620
CHO-MSK-a31cca77-4
0.618
EDJ-MED-d203f206-1
0.618
EDJ-MED-fcba3f31-8
0.618
EDJ-MED-d203f206-2
0.618
CHO-MSK-a31cca77-1
0.618
EDJ-MED-d203f206-20
0.618
EDG-MED-ba1ac7b9-7
0.616
EDJ-MED-15e90dfc-2
0.615