Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCS(=O)(=O)c2cc(Cl)c(Cl)cc21 |
MW: | 420.01 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
BEN-DND-f06bfa8e-4
0.726
MAT-POS-66a736cf-1
0.707
LUO-POS-868e8996-13
0.707
MIC-UNK-91acba05-3
0.707
LUO-POS-868e8996-14
0.707
MIC-UNK-54748b58-3
0.583
ALP-POS-869ac754-1
0.580
RAL-THA-05e671eb-2
0.580
RYA-UNI-6d7114fd-1
0.580
ALF-EVA-82cf4849-1
0.578
MAT-POS-78e1d523-6
0.573
ALP-UNI-3735e77e-4
0.573
MAT-POS-78e1d523-5
0.573
MAT-POS-f9802937-8
0.573
MAT-POS-f9802937-9
0.573
PET-UNK-022eab87-1
0.568
ALF-EVA-b701bd13-5
0.560
ALF-EVA-b701bd13-4
0.557
ALF-EVA-b701bd13-6
0.554
BEN-DND-a02b439d-14
0.544
EDJ-MED-b7309adf-2
0.544
BEN-DND-f06bfa8e-5
0.544
BEN-DND-34fc7f90-8
0.543
BEN-DND-a02b439d-15
0.543
ALP-POS-869ac754-2
0.539
ALP-UNI-ba800595-1
0.538
RAL-THA-05e671eb-9
0.538
ALF-EVA-b701bd13-3
0.533
ALP-POS-a577c8a2-2
0.532
ALF-EVA-82cf4849-5
0.532
FRA-DIA-0fa076fe-2
0.528
RAL-THA-05e671eb-21
0.528
VLA-UNK-8e76d113-2
0.526
ALF-EVA-82cf4849-2
0.526
MIC-UNK-8758c41d-2
0.522
MAT-POS-b3e365b9-1
0.522
VLA-UCB-1dbca3b4-15
0.522
MAT-POS-f7918075-1
0.522
MAT-POS-b3e365b9-2
0.522
MAT-POS-a13804f0-2
0.521
MAT-POS-a13804f0-3
0.521
ALP-POS-fe871b40-9
0.521
ALP-UNI-ba800595-2
0.521
ALP-POS-d91e0300-1
0.521
ALP-POS-fe871b40-10
0.521
PET-UNK-2c6614b6-6
0.521
RAL-THA-05e671eb-10
0.521
PET-UNK-2c6614b6-9
0.516
VLA-UNK-56836b69-1
0.516
RAL-THA-05e671eb-16
0.516
ALP-POS-fe871b40-16
0.516
ALP-UNI-3735e77e-2
0.516
MIC-UNK-8758c41d-3
0.516
PET-UNK-2c6614b6-7
0.516
RAL-THA-8416115c-2
0.511
MAT-POS-af1eef35-3
0.511
ALP-UNI-3735e77e-3
0.511
BEN-DND-d6f8d3c6-1
0.511
RAL-THA-05e671eb-11
0.511
EDG-MED-5d232de5-6
0.511
EDG-MED-5d232de5-5
0.511
DAR-DIA-0f2f46c9-12
0.511
PET-UNK-c0891748-10
0.511
MIC-UNK-91acba05-6
0.511
ALP-POS-a577c8a2-1
0.511
EDJ-MED-e18764cb-2
0.511
PET-UNK-c0891748-4
0.511
RAL-THA-05e671eb-19
0.510
DAR-DIA-6a508060-4
0.510
MAT-POS-43fe65f4-1
0.510
PET-UNK-2c6614b6-5
0.510
EDJ-MED-e4b030d8-7
0.510
PET-UNK-1b92fa34-3
0.510
EDJ-MED-b7309adf-1
0.510
RAL-THA-8416115c-3
0.510
MAT-POS-86c60949-1
0.510
VLA-UNK-8e76d113-1
0.510
ALP-UNI-c3ef0aba-1
0.505
MAT-POS-78e1d523-1
0.505
MIC-UNK-91acba05-4
0.505
EDJ-MED-12f7f543-1
0.505
PET-UNK-c0891748-8
0.505
PET-UNK-c0891748-2
0.505
RAL-THA-05e671eb-3
0.505
ALP-POS-fe871b40-5
0.505
RAL-THA-05e671eb-25
0.505
ALP-POS-477dc5b7-1
0.505
PET-UNK-2c6614b6-8
0.505
ALF-EVA-5b152d2f-1
0.505
RAL-THA-05e671eb-18
0.505
MIC-UNK-54748b58-4
0.505
BEN-DND-a02b439d-2
0.500
ALP-POS-966f8da6-2
0.500
RAL-THA-8416115c-4
0.500
RAL-THA-8416115c-10
0.500
MIC-UNK-91acba05-5
0.500
DAR-DIA-0f2f46c9-4
0.500
EDJ-MED-92e193ae-2
0.500
ALP-POS-6f6ae286-7
0.500
EDG-MED-5d232de5-3
0.500