Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CS(=O)(=O)Nc2ccc(Cl)cc21 |
MW: | 387.04 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 88.16 |
cLogP: | 3.37 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-UCB-6ab2ec87-1
0.687
PET-UNK-022eab87-1
0.647
EDJ-MED-92e193ae-2
0.644
MIC-UNK-91acba05-5
0.644
EDJ-MED-92e193ae-1
0.644
ALP-POS-477dc5b7-2
0.644
MIC-UNK-45817b9b-1
0.625
MAT-POS-43c25e9b-2
0.625
EDJ-MED-a6bd50ad-1
0.625
MAT-POS-43c25e9b-1
0.625
LUO-POS-ba0d8665-1
0.607
PET-UNK-c0891748-10
0.600
PET-UNK-1b92fa34-1
0.600
PET-UNK-c0891748-4
0.600
LUO-POS-868e8996-13
0.596
LUO-POS-868e8996-14
0.596
MAT-POS-66a736cf-1
0.596
MIC-UNK-91acba05-3
0.596
MAT-POS-af1eef35-3
0.565
EDJ-MED-e18764cb-2
0.565
ALP-POS-a577c8a2-1
0.565
BEN-DND-d6f8d3c6-1
0.565
BEN-BAS-c2bc0d80-1
0.556
MAT-POS-f7918075-2
0.551
EDJ-MED-12c115cc-1
0.551
EDJ-MED-12c115cc-2
0.551
MAT-POS-bbbbc21a-2
0.551
ROB-UNI-322e8f70-1
0.549
ALF-EVA-b701bd13-4
0.544
BEN-DND-f2e727cd-5
0.543
MAT-POS-d8472c4f-5
0.543
MAT-POS-3ccb8ef6-1
0.543
MAT-POS-3ccb8ef6-2
0.543
MIC-UNK-91acba05-4
0.543
ALP-POS-477dc5b7-1
0.543
VLA-UNK-f49ebb87-1
0.543
MAR-UCB-6ab2ec87-2
0.538
MIC-UNK-91acba05-1
0.538
MAT-POS-22e8b45a-1
0.538
MAT-POS-865c3497-1
0.538
MAT-POS-865c3497-2
0.538
ROB-UNI-322e8f70-3
0.538
ALP-POS-a577c8a2-2
0.537
MAT-POS-78e1d523-1
0.527
BEN-DND-f2e727cd-4
0.527
ALP-UNI-c3ef0aba-2
0.527
MAR-UCB-6ab2ec87-6
0.527
MAT-POS-f7918075-1
0.527
MAT-POS-b3e365b9-1
0.527
VLA-UCB-1dbca3b4-15
0.527
MAT-POS-b3e365b9-2
0.527
BEN-DND-f2e727cd-6
0.526
MAT-POS-dd3ad2b5-1
0.526
ALF-EVA-5b152d2f-1
0.526
MIC-UNK-45817b9b-2
0.526
MAR-UCB-6ab2ec87-7
0.521
RAL-THA-4aa06b95-1
0.521
ALP-POS-fe871b40-6
0.516
RAL-THA-8416115c-2
0.516
MIC-UNK-91acba05-6
0.516
DAR-DIA-0f2f46c9-12
0.516
ADA-UCB-dc2b944c-16
0.516
MAT-POS-2e8b2191-2
0.516
MIC-UNK-91acba05-2
0.516
EDJ-MED-eb111c00-1
0.516
EDG-MED-5d232de5-6
0.516
EDG-MED-5d232de5-5
0.516
ROB-UNI-611831f5-2
0.516
MAT-POS-2e8b2191-3
0.516
PET-UNK-c0891748-6
0.516
PET-UNK-c0891748-12
0.516
PET-UNK-1b92fa34-3
0.515
DAR-DIA-0587064e-13
0.515
MAT-POS-78e1d523-5
0.511
MAT-POS-f9802937-8
0.511
MAT-POS-f9802937-9
0.511
EDJ-MED-12f7f543-1
0.511
PET-UNK-c0891748-2
0.511
PET-UNK-c0891748-8
0.511
MAT-POS-78e1d523-6
0.511
ALP-UNI-ba800595-1
0.511
ALP-POS-fe871b40-5
0.511
RAL-THA-05e671eb-25
0.511
ALP-UNI-3735e77e-4
0.511
EDJ-MED-e4b030d8-3
0.510
ALP-POS-d3acb8cc-2
0.510
ALP-POS-d3acb8cc-4
0.510
DAR-DIA-0f2f46c9-10
0.510
ALP-UNI-ba800595-2
0.510
ALP-POS-fe871b40-10
0.510
MAT-POS-8a69d52e-3
0.510
MAT-POS-8a69d52e-1
0.510
ALP-POS-d054b76b-1
0.510
EDJ-MED-e4b030d8-2
0.510
ALP-POS-d3acb8cc-1
0.510
MAT-POS-8a69d52e-2
0.510
ALP-POS-d3acb8cc-3
0.510
MAT-POS-f39f51fd-1
0.505
MAK-UNK-8be7dca9-10
0.505
EDG-MED-5d232de5-3
0.505