Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnsc12)[C@@H]1CCNc2ccc(Cl)cc21 |
MW: | 344.05 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b1ef24dc-12
0.636
PET-UNK-b1ef24dc-9
0.607
ALP-POS-477dc5b7-2
0.607
MIC-UNK-91acba05-5
0.607
EDJ-MED-92e193ae-2
0.607
EDJ-MED-92e193ae-1
0.607
PET-UNK-b1ef24dc-6
0.600
PET-UNK-e274cad4-9
0.593
PET-UNK-b1ef24dc-14
0.587
PET-UNK-e274cad4-4
0.587
PET-UNK-b1ef24dc-22
0.578
BEN-DND-d1eb1f41-3
0.571
BEN-DND-d1eb1f41-10
0.562
MAT-POS-86c60949-2
0.562
PET-UNK-7f7e354d-2
0.559
PET-UNK-b1ef24dc-18
0.559
PET-UNK-b1ef24dc-11
0.554
DAR-DIA-06c53477-6
0.543
DAR-DIA-06c53477-4
0.543
DAR-DIA-06c53477-5
0.543
BEN-DND-d1eb1f41-5
0.531
BEN-DND-d1eb1f41-1
0.531
BEN-DND-d1eb1f41-2
0.525
PET-UNK-b1ef24dc-26
0.520
PET-UNK-b1ef24dc-34
0.520
PET-UNK-b1ef24dc-30
0.500
EDG-MED-fe7487f8-4
0.495
BEN-DND-02317c5c-6
0.474
PET-UNK-b1ef24dc-2
0.444
BEN-DND-f06bfa8e-6
0.444
MAT-POS-e69ad64a-1
0.415
MAR-UCB-6ab2ec87-1
0.414
ALP-UNI-8d415491-3
0.414
ALF-EVA-82cf4849-2
0.413
ALP-UNI-8d415491-6
0.408
ALP-POS-fe871b40-10
0.408
ALP-UNI-ba800595-2
0.408
EDJ-MED-611d11e7-5
0.408
MAT-POS-ec6d90b7-5
0.408
EDJ-MED-611d11e7-11
0.406
ALP-UNI-8d415491-4
0.406
ALP-UNI-3735e77e-4
0.406
MAT-POS-78e1d523-6
0.406
MAT-POS-f9802937-8
0.406
MAT-POS-f9802937-9
0.406
MAT-POS-78e1d523-5
0.406
ALF-EVA-82cf4849-10
0.406
ERI-UCB-b3e6b0c2-2
0.404
BEN-DND-f06bfa8e-1
0.404
ALF-EVA-82cf4849-9
0.400
ERI-UCB-b3e6b0c2-11
0.400
ALF-EVA-82cf4849-1
0.398
ALF-EVA-b701bd13-2
0.396
ALF-EVA-82cf4849-7
0.396
PET-UNK-ab76d8f6-4
0.393
DAR-DIA-5a24bef0-2
0.390
PET-UNK-c65ea24c-4
0.387
ALF-EVA-82cf4849-6
0.387
ALP-UNI-8d415491-1
0.384
PET-UNK-0df12184-3
0.383
ALF-EVA-b701bd13-1
0.383
EDJ-MED-611d11e7-2
0.380
ALP-UNI-8d415491-5
0.380
MAT-POS-96f51285-6
0.380
EDJ-MED-611d11e7-8
0.380
MAT-POS-ec6d90b7-6
0.380
ALP-UNI-ba800595-1
0.379
ERI-UCB-b3e6b0c2-16
0.375
ERI-UCB-b3e6b0c2-5
0.374
ALP-POS-fe871b40-2
0.374
ROB-UNI-322e8f70-2
0.371
EDJ-MED-ee742daa-2
0.370
PET-UNK-c65ea24c-16
0.369
PET-UNK-b1ef24dc-8
0.365
ERI-UCB-b3e6b0c2-8
0.363
MIC-UNK-45817b9b-1
0.362
MAT-POS-43c25e9b-1
0.362
MAT-POS-43c25e9b-2
0.362
EDJ-MED-a6bd50ad-1
0.362
VLA-UNK-8e76d113-2
0.361
ALP-POS-fe871b40-6
0.358
ROB-UNI-611831f5-2
0.358
DAR-DIA-0587064e-13
0.354
DAR-DIA-0587064e-11
0.353
DAR-DIA-0587064e-18
0.353
PET-UNK-b1ef24dc-24
0.352
PET-UNK-7279c968-2
0.352
ALF-EVA-5b152d2f-3
0.352
RAL-THA-4aa06b95-1
0.352
PET-UNK-c65ea24c-10
0.350
DAR-DIA-06c53477-1
0.349
BEN-DND-4f474d93-2
0.349
ALF-EVA-b701bd13-3
0.349
DAR-DIA-06c53477-2
0.349
ALP-POS-ce760d3f-3
0.349
ALP-UNI-8d415491-2
0.349
DAR-DIA-06c53477-3
0.349
DAR-DIA-0587064e-16
0.348
PET-UNK-b1ef24dc-16
0.346
ALF-EVA-b701bd13-5
0.346