Molecular Properties | |
SMILES: | N[S+]([O-])N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 400.08 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 94.31 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Singel acyclic N-S bonds
Filter22_sulfonium_salt
quaternary
Hetero_hetero
Tri_Pentavalent_S
RAL-THA-4aa06b95-1
DAR-DIA-0f2f46c9-12
0.850
RAL-THA-4aa06b95-1
0.705
EDG-MED-5d232de5-6
0.701
EDG-MED-5d232de5-5
0.701
RAL-THA-8416115c-2
0.701
MIC-UNK-91acba05-6
0.701
DAR-DIA-0f2f46c9-3
0.678
DAR-DIA-0f2f46c9-1
0.678
DAR-DIA-0f2f46c9-2
0.678
DAR-DIA-0f2f46c9-10
0.674
DAR-DIA-0f2f46c9-4
0.667
ALP-POS-966f8da6-2
0.667
RAL-THA-c11c1343-1
0.667
EDG-MED-5d232de5-3
0.667
EDG-MED-5d232de5-4
0.667
DAR-DIA-0f2f46c9-5
0.667
DAR-DIA-0f2f46c9-6
0.667
RAL-THA-4aa06b95-2
0.663
RAL-THA-4aa06b95-3
0.663
RAL-THA-8416115c-3
0.659
RAL-THA-4aa06b95-6
0.659
DAR-DIA-0f2f46c9-7
0.656
DAR-DIA-0f2f46c9-8
0.656
RAL-THA-8416115c-8
0.656
DAR-DIA-0f2f46c9-9
0.656
RAL-THA-8416115c-4
0.645
RAL-THA-8416115c-7
0.645
RAL-THA-4aa06b95-4
0.638
RAL-THA-8416115c-9
0.635
DAR-DIA-0f2f46c9-14
0.632
DAR-DIA-0f2f46c9-13
0.632
RAL-THA-8416115c-10
0.625
RAL-THA-4aa06b95-7
0.619
RAL-THA-8416115c-1
0.619
MAR-UCB-6ab2ec87-7
0.615
RAL-THA-4aa06b95-5
0.612
MAR-UCB-6ab2ec87-6
0.604
RAL-THA-8416115c-11
0.594
ALP-POS-966f8da6-1
0.594
RAL-THA-8416115c-6
0.594
ALP-UNI-b33a865d-1
0.594
RAL-THA-8416115c-14
0.588
ALP-POS-d054b76b-1
0.585
MIC-UNK-45817b9b-2
0.585
RAL-THA-8416115c-5
0.583
RAL-THA-8416115c-13
0.577
RAL-THA-8416115c-12
0.577
EDJ-MED-92e193ae-2
0.564
MIC-UNK-91acba05-5
0.564
EDJ-MED-92e193ae-1
0.564
ALP-POS-477dc5b7-2
0.564
LUO-POS-868e8996-13
0.553
MAT-POS-f7918075-1
0.553
VLA-UCB-1dbca3b4-15
0.553
MIC-UNK-91acba05-4
0.553
MAT-POS-b3e365b9-1
0.553
MIC-UNK-91acba05-3
0.553
MAT-POS-78e1d523-1
0.553
MAT-POS-b3e365b9-2
0.553
ALP-POS-477dc5b7-1
0.553
LUO-POS-868e8996-14
0.553
MAT-POS-66a736cf-1
0.553
ALP-POS-d054b76b-3
0.549
MAT-POS-dd3ad2b5-3
0.541
ALF-EVA-5b152d2f-1
0.536
MAR-UCB-6ab2ec87-1
0.532
EDJ-MED-12c115cc-1
0.527
EDJ-MED-12c115cc-2
0.527
MAT-POS-bbbbc21a-2
0.527
MAT-POS-f7918075-2
0.527
ADA-UCB-dc2b944c-16
0.526
MAT-POS-2e8b2191-2
0.526
ALP-POS-fe871b40-2
0.525
ALP-UNI-ba800595-1
0.521
RAL-THA-05e671eb-3
0.521
MAT-POS-e2d70d27-1
0.519
PET-UNK-022eab87-1
0.516
BEN-BAS-c2bc0d80-1
0.516
EDJ-MED-a6bd50ad-1
0.515
MIC-UNK-45817b9b-1
0.515
MAT-POS-43c25e9b-2
0.515
MAT-POS-43c25e9b-1
0.515
ALP-POS-a577c8a2-1
0.510
ALP-POS-ce760d3f-1
0.510
PET-UNK-c0891748-10
0.510
BEN-DND-d6f8d3c6-1
0.510
MAT-POS-af1eef35-3
0.510
EDJ-MED-e18764cb-2
0.510
PET-UNK-c0891748-4
0.510
EDJ-MED-eb111c00-1
0.510
MIC-UNK-91acba05-2
0.510
PET-UNK-9b23ef84-2
0.510
MAT-POS-dd3ad2b5-2
0.510
RAL-THA-05e671eb-25
0.505
ALP-POS-fe871b40-5
0.505
BEN-DND-f2e727cd-4
0.505
ALP-UNI-c3ef0aba-2
0.505
BEN-DND-f2e727cd-5
0.505
PET-UNK-c0891748-2
0.505
EDJ-MED-12f7f543-1
0.505