Molecular Properties | |
SMILES: | O=C(C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)N1CC[S+]([O-])CC1 |
MW: | 497.12 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.59 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Tri_Pentavalent_S
ALP-POS-67d5babe-4
0.741
ALP-UNI-8e43a71e-8
0.739
ALP-UNI-3496895b-8
0.739
ALP-UNI-8e43a71e-9
0.739
ALP-UNI-3496895b-9
0.739
ALP-UNI-76695c4f-8
0.739
KAD-UNI-8a629cb0-17
0.739
KAD-UNI-80f122c8-5
0.739
KAD-UNI-8a629cb0-8
0.732
ALP-UNI-76695c4f-5
0.732
EDJ-MED-d203f206-25
0.732
EDG-MED-ba1ac7b9-28
0.732
EDG-MED-ba1ac7b9-5
0.732
ALP-UNI-3496895b-10
0.726
ALP-UNI-8e43a71e-7
0.726
ALP-POS-5bb456a5-9
0.726
EDJ-MED-d203f206-10
0.726
KAD-UNI-8a629cb0-21
0.726
ALP-POS-2da19ca7-1
0.726
ALP-UNI-3496895b-7
0.726
EDG-MED-ba1ac7b9-32
0.726
ALP-UNI-8e43a71e-10
0.726
ALP-UNI-76695c4f-9
0.726
ALP-POS-5bb456a5-10
0.726
KAD-UNI-8a629cb0-33
0.726
EDJ-MED-d203f206-9
0.723
EDG-MED-ba1ac7b9-31
0.722
EDJ-MED-d203f206-26
0.721
EDJ-MED-d203f206-43
0.721
RAL-THA-58fba2bc-1
0.720
MAT-POS-45b13633-4
0.720
EDG-MED-971238d3-10
0.720
ALP-POS-2da19ca7-5
0.719
ALP-POS-5bb456a5-6
0.719
ALP-POS-5bb456a5-5
0.719
ALP-UNI-76695c4f-10
0.718
KAD-UNI-8a629cb0-31
0.718
EDG-MED-ba1ac7b9-2
0.716
ALP-POS-2da19ca7-2
0.713
EDG-MED-ba1ac7b9-33
0.713
ALP-POS-5bb456a5-8
0.713
ALP-POS-5bb456a5-7
0.713
EDG-MED-ba1ac7b9-7
0.709
EDG-MED-ba1ac7b9-1
0.709
ALP-POS-2da19ca7-4
0.707
KAD-UNI-8a629cb0-5
0.707
ALP-UNI-76695c4f-2
0.707
EDG-MED-ba1ac7b9-4
0.704
KAD-UNI-80f122c8-4
0.704
ALP-UNI-8e43a71e-6
0.704
ALP-UNI-3496895b-6
0.704
ALP-UNI-76695c4f-7
0.704
KAD-UNI-8a629cb0-15
0.704
EDJ-MED-d203f206-39
0.702
MAT-POS-f9802937-5
0.699
MAT-POS-f9802937-6
0.699
MAT-POS-5d65ec79-2
0.699
EDJ-MED-d203f206-40
0.696
EDJ-MED-d203f206-36
0.696
MAT-POS-45b13633-5
0.692
MAT-POS-5d65ec79-1
0.692
MAT-POS-f9802937-3
0.692
MAT-POS-f9802937-4
0.692
EDJ-MED-d203f206-41
0.690
EDG-MED-ba1ac7b9-14
0.690
EDG-MED-ba1ac7b9-25
0.690
ALP-UNI-3496895b-11
0.689
ALP-UNI-8e43a71e-11
0.689
ALP-POS-67d5babe-3
0.681
DAR-DIA-ecdbc7dd-13
0.680
EDJ-MED-d203f206-38
0.678
EDG-MED-ba1ac7b9-15
0.678
EDG-MED-ba1ac7b9-20
0.678
EDJ-MED-d203f206-22
0.675
EDJ-MED-d203f206-19
0.673
EDG-MED-ba1ac7b9-13
0.673
KAD-UNI-8a629cb0-42
0.673
ALP-UNI-76695c4f-4
0.672
EDJ-MED-d203f206-35
0.672
KAD-UNI-8a629cb0-7
0.672
KAD-UNI-80f122c8-3
0.672
EDJ-MED-d203f206-27
0.672
DAR-DIA-ecdbc7dd-3
0.670
EDJ-MED-d203f206-15
0.667
DAR-DIA-ecdbc7dd-4
0.667
ALP-POS-5bb456a5-4
0.664
ALP-POS-2da19ca7-6
0.664
ALP-POS-5bb456a5-3
0.664
EDJ-MED-d203f206-30
0.664
EDJ-MED-d203f206-32
0.661
ALP-UNI-8e43a71e-3
0.661
ALP-UNI-3496895b-3
0.661
KAD-UNI-8a629cb0-10
0.661
KAD-UNI-80f122c8-2
0.661
ALP-UNI-76695c4f-6
0.661
MAT-POS-e6dd326d-2
0.660
MAT-POS-45b13633-2
0.660
EDJ-MED-d203f206-8
0.658
DAR-DIA-ecdbc7dd-11
0.657
MAT-POS-9db1e783-2
0.657