Molecular Properties | |
SMILES: | C[S+]([O-])N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 399.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.29 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Hetero_hetero
N-S_(not_sulfonamides)
Tri_Pentavalent_S
RAL-THA-4aa06b95-1
DAR-DIA-0f2f46c9-11
0.850
MIC-UNK-91acba05-6
0.735
EDG-MED-5d232de5-6
0.735
RAL-THA-8416115c-2
0.735
EDG-MED-5d232de5-5
0.735
DAR-DIA-0f2f46c9-4
0.718
RAL-THA-c11c1343-1
0.718
ALP-POS-966f8da6-2
0.718
RAL-THA-4aa06b95-1
0.718
DAR-DIA-0f2f46c9-6
0.718
EDG-MED-5d232de5-3
0.718
EDG-MED-5d232de5-4
0.718
DAR-DIA-0f2f46c9-5
0.718
RAL-THA-4aa06b95-3
0.713
RAL-THA-8416115c-3
0.709
DAR-DIA-0f2f46c9-10
0.706
RAL-THA-4aa06b95-2
0.693
RAL-THA-8416115c-4
0.693
DAR-DIA-0f2f46c9-3
0.690
DAR-DIA-0f2f46c9-1
0.690
RAL-THA-4aa06b95-6
0.690
DAR-DIA-0f2f46c9-2
0.690
RAL-THA-4aa06b95-4
0.685
DAR-DIA-0f2f46c9-7
0.685
DAR-DIA-0f2f46c9-8
0.685
DAR-DIA-0f2f46c9-9
0.685
DAR-DIA-0f2f46c9-13
0.678
DAR-DIA-0f2f46c9-14
0.678
RAL-THA-8416115c-7
0.674
RAL-THA-8416115c-10
0.670
RAL-THA-8416115c-8
0.667
RAL-THA-4aa06b95-7
0.663
RAL-THA-8416115c-9
0.663
RAL-THA-4aa06b95-5
0.656
MAR-UCB-6ab2ec87-6
0.651
RAL-THA-8416115c-1
0.645
MAR-UCB-6ab2ec87-7
0.644
MIC-UNK-45817b9b-2
0.629
ALP-POS-d054b76b-1
0.629
ALP-POS-966f8da6-1
0.619
ALP-UNI-b33a865d-1
0.619
RAL-THA-8416115c-11
0.619
RAL-THA-8416115c-6
0.619
RAL-THA-8416115c-14
0.612
RAL-THA-8416115c-5
0.606
RAL-THA-8416115c-12
0.600
RAL-THA-8416115c-13
0.600
ALP-POS-477dc5b7-2
0.589
EDJ-MED-92e193ae-1
0.589
EDJ-MED-92e193ae-2
0.589
MIC-UNK-91acba05-5
0.589
LUO-POS-868e8996-13
0.578
LUO-POS-868e8996-14
0.578
MAT-POS-b3e365b9-2
0.578
MAT-POS-f7918075-1
0.578
VLA-UCB-1dbca3b4-15
0.578
MAT-POS-b3e365b9-1
0.578
ALP-POS-477dc5b7-1
0.578
MIC-UNK-91acba05-4
0.578
MAT-POS-78e1d523-1
0.578
MIC-UNK-91acba05-3
0.578
MAT-POS-66a736cf-1
0.578
ALP-POS-d054b76b-3
0.571
ALP-UNI-ba800595-1
0.560
ALF-EVA-5b152d2f-1
0.559
MAT-POS-e2d70d27-1
0.556
BEN-BAS-c2bc0d80-1
0.556
MAR-UCB-6ab2ec87-1
0.556
EDJ-MED-12c115cc-2
0.551
MAT-POS-f7918075-2
0.551
MAT-POS-bbbbc21a-2
0.551
EDJ-MED-12c115cc-1
0.551
MIC-UNK-91acba05-2
0.548
EDJ-MED-eb111c00-1
0.548
MAT-POS-dd3ad2b5-3
0.547
ALP-POS-fe871b40-2
0.547
MAT-POS-dd3ad2b5-2
0.547
PET-UNK-9b23ef84-2
0.547
RAL-THA-05e671eb-3
0.543
MAT-POS-dd3ad2b5-1
0.543
BEN-DND-f2e727cd-6
0.543
PET-UNK-022eab87-1
0.538
ALP-POS-a577c8a2-2
0.537
MAT-POS-2e8b2191-2
0.532
ADA-UCB-dc2b944c-16
0.532
PET-UNK-c0891748-4
0.532
PET-UNK-c0891748-10
0.532
MAT-POS-4223bc15-19
0.531
MAT-POS-dd3ad2b5-4
0.531
RAL-THA-6e4c80cf-1
0.531
MAT-POS-24589f88-2
0.531
MAT-POS-24589f88-3
0.531
MAT-POS-dd3ad2b5-5
0.531
ALP-UNI-c3ef0aba-2
0.527
EDJ-MED-12f7f543-1
0.527
RAL-THA-05e671eb-25
0.527
MAT-POS-d8472c4f-5
0.527
PET-UNK-c0891748-8
0.527
MAT-POS-3ccb8ef6-1
0.527
BEN-DND-f2e727cd-4
0.527