Molecular Properties | |
SMILES: | CNc1cc2c(cc1Cl)[C@H](C(=O)Nc1cncc3ccccc13)CCN2 |
MW: | 366.12 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 66.05 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-78e1d523-5
0.797
ALP-UNI-3735e77e-4
0.797
MAT-POS-f9802937-9
0.797
MAT-POS-78e1d523-6
0.797
MAT-POS-f9802937-8
0.797
ALF-EVA-82cf4849-2
0.771
ALP-POS-fe871b40-10
0.768
ALP-UNI-ba800595-2
0.768
ALP-POS-477dc5b7-2
0.682
EDJ-MED-92e193ae-1
0.682
EDJ-MED-92e193ae-2
0.682
MIC-UNK-91acba05-5
0.682
ALF-EVA-b701bd13-5
0.655
ALF-EVA-b701bd13-3
0.625
ALF-EVA-82cf4849-5
0.622
VLA-UNK-8e76d113-2
0.615
ALP-UNI-ba800595-1
0.614
ALF-EVA-82cf4849-6
0.598
ALP-UNI-8d415491-3
0.591
ALP-UNI-8d415491-5
0.585
EDJ-MED-611d11e7-2
0.585
ROB-UNI-611831f5-2
0.582
ALP-POS-fe871b40-6
0.582
ALF-EVA-b701bd13-4
0.580
VLA-UNK-8e76d113-1
0.579
MIC-UNK-8758c41d-1
0.578
ALP-UNI-8d415491-4
0.578
EDJ-MED-611d11e7-11
0.578
MAT-POS-ec6d90b7-5
0.576
EDJ-MED-611d11e7-5
0.576
ALP-UNI-8d415491-6
0.576
ALF-EVA-b701bd13-6
0.576
ALF-EVA-82cf4849-7
0.574
BEN-DND-f06bfa8e-6
0.571
BEN-DND-f06bfa8e-1
0.570
ALP-POS-fe871b40-2
0.564
ALF-EVA-b701bd13-2
0.558
ALF-EVA-b701bd13-1
0.558
DAR-DIA-0587064e-11
0.554
MAT-POS-ec6d90b7-6
0.552
MAT-POS-96f51285-6
0.552
EDJ-MED-611d11e7-8
0.552
DAR-DIA-0587064e-13
0.545
FRA-DIA-b66f7109-4
0.545
DAR-DIA-0587064e-18
0.539
ALF-EVA-82cf4849-9
0.538
ALF-EVA-82cf4849-10
0.536
DAR-DIA-0587064e-16
0.535
RAL-THA-05e671eb-21
0.533
RAL-THA-05e671eb-2
0.533
RYA-UNI-6d7114fd-1
0.533
ALP-POS-869ac754-1
0.533
DAR-DIA-0587064e-14
0.530
DAR-DIA-0587064e-23
0.529
ALP-POS-869ac754-2
0.527
MAT-POS-66a736cf-1
0.527
LUO-POS-868e8996-13
0.527
MIC-UNK-91acba05-3
0.527
LUO-POS-868e8996-14
0.527
RAL-THA-05e671eb-9
0.526
MAR-UCB-6ab2ec87-1
0.522
ALP-POS-fe871b40-16
0.521
VLA-UNK-56836b69-1
0.521
MIC-UNK-8758c41d-3
0.521
FRA-DIA-0fa076fe-2
0.516
RAL-THA-05e671eb-3
0.511
MIC-UNK-8758c41d-2
0.511
MAT-POS-a13804f0-3
0.510
ALF-EVA-5b152d2f-1
0.510
MAT-POS-a13804f0-2
0.510
ALP-POS-d91e0300-1
0.510
RAL-THA-05e671eb-10
0.510
ALP-POS-fe871b40-9
0.510
DAR-DIA-0587064e-27
0.509
DAR-DIA-0587064e-25
0.509
PET-UNK-022eab87-1
0.505
ALP-UNI-3735e77e-2
0.505
RAL-THA-05e671eb-16
0.505
DAR-DIA-0f2f46c9-5
0.505
DAR-DIA-0f2f46c9-6
0.505
ALP-POS-fe871b40-15
0.505
DAR-DIA-0f2f46c9-4
0.505
RAL-THA-8416115c-10
0.505
DAR-DIA-0f2f46c9-8
0.500
BEN-DND-a02b439d-14
0.500
RAL-THA-8416115c-3
0.500
ALP-POS-ce760d3f-1
0.500
RAL-THA-8416115c-2
0.500
ALP-UNI-3735e77e-3
0.500
EDG-MED-5d232de5-5
0.500
DAR-DIA-0f2f46c9-12
0.500
ROB-UNI-322e8f70-2
0.500
VLA-UNK-9a7dc93f-3
0.500
DAR-DIA-0f2f46c9-9
0.500
FRA-DIA-0fa076fe-1
0.500
RAL-THA-05e671eb-11
0.500
EDG-MED-5d232de5-6
0.500
DAR-DIA-0f2f46c9-7
0.500
FRA-DIA-c7e803f4-1
0.500
MIC-UNK-91acba05-6
0.500