Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCNc2cc(F)c(Cl)cc21 |
MW: | 355.09 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-ba800595-2
1.000
MAT-POS-f9802937-8
0.787
ALP-UNI-3735e77e-4
0.787
MAT-POS-f9802937-9
0.787
MAT-POS-78e1d523-5
0.787
MAT-POS-78e1d523-6
0.787
ALF-EVA-82cf4849-1
0.768
ALF-EVA-82cf4849-2
0.741
ALP-POS-477dc5b7-2
0.694
EDJ-MED-92e193ae-2
0.694
EDJ-MED-92e193ae-1
0.694
MIC-UNK-91acba05-5
0.694
ALF-EVA-b701bd13-5
0.648
ALP-POS-fe871b40-15
0.633
ALF-EVA-b701bd13-3
0.618
VLA-UNK-8e76d113-2
0.609
ALP-UNI-ba800595-1
0.607
VLA-UNK-8e76d113-1
0.606
RAL-THA-05e671eb-10
0.604
MAT-POS-a13804f0-2
0.604
EDJ-MED-611d11e7-5
0.604
ALP-UNI-8d415491-6
0.604
MAT-POS-a13804f0-3
0.604
ALP-POS-d91e0300-1
0.604
ALP-POS-fe871b40-9
0.604
MAT-POS-ec6d90b7-5
0.604
BEN-DND-f06bfa8e-1
0.598
ALF-EVA-82cf4849-5
0.598
ALF-EVA-b701bd13-6
0.587
ALP-UNI-8d415491-3
0.584
BEN-DND-f06bfa8e-6
0.582
ALP-POS-fe871b40-6
0.576
ALP-UNI-3735e77e-3
0.576
ROB-UNI-611831f5-2
0.576
RAL-THA-05e671eb-11
0.576
ALF-EVA-b701bd13-4
0.573
ALP-UNI-8d415491-4
0.571
EDJ-MED-611d11e7-11
0.571
ALF-EVA-82cf4849-7
0.568
ALP-POS-fe871b40-2
0.558
PET-UNK-1b92fa34-3
0.558
DAR-DIA-0587064e-11
0.549
DAR-DIA-0587064e-18
0.549
ALF-EVA-82cf4849-6
0.542
FRA-DIA-b66f7109-4
0.540
ALF-EVA-b701bd13-1
0.536
ALF-EVA-b701bd13-2
0.536
EDJ-MED-015fb6b4-3
0.535
DAR-DIA-0587064e-27
0.533
DAR-DIA-0587064e-25
0.533
MAR-UCB-6ab2ec87-1
0.533
ALF-EVA-82cf4849-9
0.533
MAT-POS-ec6d90b7-6
0.531
EDJ-MED-611d11e7-8
0.531
ALP-UNI-8d415491-5
0.531
PET-UNK-9b23ef84-3
0.531
EDJ-MED-611d11e7-2
0.531
MAT-POS-96f51285-6
0.531
ALF-EVA-82cf4849-10
0.531
RAL-THA-05e671eb-21
0.527
RYA-UNI-6d7114fd-1
0.527
RAL-THA-05e671eb-2
0.527
ALP-POS-869ac754-1
0.527
DAR-DIA-0587064e-13
0.525
DAR-DIA-0587064e-14
0.525
DAR-DIA-0587064e-23
0.524
ALP-POS-869ac754-2
0.522
MIC-UNK-8758c41d-1
0.521
RAL-THA-05e671eb-17
0.521
RAL-THA-05e671eb-9
0.521
MAT-POS-64942dd0-3
0.520
MIC-UNK-8758c41d-3
0.516
VLA-UNK-56836b69-1
0.516
ALP-POS-fe871b40-16
0.516
DAR-DIA-0587064e-16
0.515
FRA-DIA-0fa076fe-2
0.511
RAL-THA-05e671eb-22
0.511
VLA-UNK-9a7dc93f-3
0.510
ROB-UNI-322e8f70-2
0.510
MIC-UNK-ea4eb352-11
0.510
ALP-POS-fe871b40-12
0.510
NIR-THE-3fc2bec4-1
0.510
MIC-UNK-91acba05-4
0.505
LUO-POS-868e8996-14
0.505
MAT-POS-b3e365b9-1
0.505
MAT-POS-b3e365b9-2
0.505
ALP-POS-477dc5b7-1
0.505
MIC-UNK-91acba05-3
0.505
MAT-POS-66a736cf-1
0.505
VLA-UCB-1dbca3b4-15
0.505
MAT-POS-f7918075-1
0.505
MAT-POS-78e1d523-1
0.505
RAL-THA-05e671eb-3
0.505
MIC-UNK-8758c41d-2
0.505
LUO-POS-868e8996-13
0.505
BEN-DND-02317c5c-7
0.505
DAR-DIA-9f765dc6-1
0.505
ALF-EVA-5b152d2f-1
0.505
DAR-DIA-0f2f46c9-10
0.505
DAR-DIA-9f765dc6-3
0.505