Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(S(C)(=O)=O)c(CNC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)c1 |
MW: | 613.11 |
Fraction sp3: | 0.24 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 131.53 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
KAD-UNI-cb0f2bbc-15
0.752
MAT-POS-24589f88-12
0.723
KAD-UNI-b13decd3-3
0.723
EDJ-MED-15e90dfc-7
0.722
MAT-POS-e6dd326d-4
0.714
EDJ-MED-f893e2a1-8
0.714
MAT-POS-7174c657-1
0.695
KAD-UNI-cb0f2bbc-23
0.695
MAT-POS-24589f88-13
0.695
EDJ-MED-8c98ee63-2
0.693
MAT-POS-45b13633-2
0.692
MAT-POS-e6dd326d-2
0.692
EDJ-MED-15e90dfc-4
0.690
KAD-UNI-b13decd3-4
0.686
MAT-POS-24589f88-9
0.686
MAT-POS-7174c657-4
0.686
MAT-POS-e6dd326d-11
0.685
EDJ-MED-424a8a89-1
0.682
MAT-POS-e6dd326d-10
0.682
EDJ-MED-15e90dfc-3
0.682
MAT-POS-e6dd326d-13
0.682
EDJ-MED-8c98ee63-1
0.679
EDJ-MED-15e90dfc-1
0.675
EDJ-MED-f893e2a1-1
0.675
MAT-POS-e6dd326d-5
0.673
KAD-UNI-b13decd3-12
0.672
KAD-UNI-b13decd3-11
0.672
MAT-POS-e6dd326d-9
0.667
EDJ-MED-f893e2a1-10
0.667
EDJ-MED-f893e2a1-7
0.664
EDJ-MED-f893e2a1-3
0.661
EDJ-MED-424a8a89-2
0.661
RAL-THA-e002e396-1
0.657
MAT-POS-e6dd326d-8
0.655
MAT-POS-e6dd326d-12
0.655
MAT-POS-61f37a1a-9
0.650
KAD-UNI-cb0f2bbc-18
0.650
MAT-POS-e6dd326d-6
0.649
KAD-UNI-b13decd3-8
0.648
MAT-POS-61f37a1a-11
0.648
KAD-UNI-b13decd3-10
0.648
KAD-UNI-cb0f2bbc-2
0.648
EDJ-MED-4c7486ba-1
0.646
EDJ-MED-4c7486ba-4
0.646
EDG-MED-70ae9412-2
0.646
RAL-THA-e002e396-2
0.642
KAD-UNI-b13decd3-6
0.639
MAT-POS-5f1400cf-2
0.639
EDJ-MED-f893e2a1-4
0.638
DAR-DIA-6a508060-13
0.637
EDJ-MED-40433386-10
0.637
KAD-UNI-cb0f2bbc-22
0.636
MAT-POS-61f37a1a-3
0.636
MAT-POS-45b13633-1
0.636
EDG-MED-971238d3-5
0.636
MAT-POS-e6dd326d-1
0.636
MAT-POS-2bb0cf2b-1
0.636
MAT-POS-45b13633-3
0.633
MAT-POS-e6dd326d-3
0.633
EDJ-MED-f893e2a1-2
0.632
MAT-POS-e6dd326d-14
0.632
KAD-UNI-b13decd3-7
0.632
MAT-POS-e6dd326d-7
0.632
RAL-THA-e002e396-11
0.627
EDG-MED-971238d3-2
0.626
MAT-POS-9db1e783-2
0.626
EDJ-MED-15e90dfc-5
0.626
EDJ-MED-40433386-4
0.626
RAL-THA-e002e396-5
0.625
MAT-POS-61f37a1a-6
0.624
KAD-UNI-cb0f2bbc-16
0.624
EDG-MED-971238d3-3
0.624
RAL-THA-58fba2bc-3
0.624
EDG-MED-971238d3-6
0.624
DAR-DIA-ecdbc7dd-16
0.623
KAD-UNI-cb0f2bbc-7
0.622
KAD-UNI-b13decd3-2
0.622
MAT-POS-24589f88-8
0.622
MAT-POS-a3f7f96a-6
0.622
KAD-UNI-cb0f2bbc-6
0.622
EDJ-MED-f893e2a1-6
0.622
EDJ-MED-15e90dfc-6
0.622
RAL-THA-e002e396-6
0.622
EDJ-MED-15e90dfc-2
0.621
RAL-THA-e002e396-7
0.619
EDJ-MED-f893e2a1-5
0.619
KAD-UNI-cb0f2bbc-9
0.619
MAT-POS-a3f7f96a-9
0.619
DAR-DIA-ecdbc7dd-13
0.618
KAD-UNI-cb0f2bbc-13
0.617
MAT-POS-61f37a1a-15
0.617
ALP-UNI-0676e700-29
0.615
MAT-POS-a3f7f96a-7
0.614
KAD-UNI-cb0f2bbc-11
0.614
RAL-THA-e002e396-8
0.614
KAD-UNI-cb0f2bbc-17
0.612
MAT-POS-61f37a1a-8
0.612
EDJ-MED-f893e2a1-9
0.612
EDG-MED-971238d3-10
0.609
RAL-THA-58fba2bc-1
0.609