Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCCNc2cc(Cl)c(Cl)cc21 |
MW: | 385.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 5.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-3735e77e-4
MAT-POS-f9802937-8
0.821
ALP-UNI-3735e77e-4
0.821
MAT-POS-78e1d523-5
0.821
MAT-POS-f9802937-9
0.821
MAT-POS-78e1d523-6
0.821
ALF-EVA-b701bd13-4
0.716
ALF-EVA-b701bd13-6
0.667
ALF-EVA-82cf4849-1
0.655
ALP-POS-fe871b40-10
0.648
ALP-UNI-ba800595-2
0.648
ALF-EVA-82cf4849-2
0.633
ALP-UNI-8d415491-3
0.609
VLA-UNK-56836b69-1
0.607
ALP-POS-477dc5b7-2
0.607
ALP-POS-fe871b40-16
0.607
EDJ-MED-92e193ae-1
0.607
EDJ-MED-92e193ae-2
0.607
MIC-UNK-91acba05-5
0.607
MIC-UNK-8758c41d-3
0.607
ALP-UNI-8d415491-4
0.596
EDJ-MED-611d11e7-11
0.596
MAT-POS-ec6d90b7-5
0.593
ALP-UNI-8d415491-6
0.593
EDJ-MED-611d11e7-5
0.593
ALF-EVA-82cf4849-7
0.591
BEN-DND-f06bfa8e-6
0.589
BEN-DND-f06bfa8e-1
0.587
ALF-EVA-b701bd13-3
0.571
ALF-EVA-82cf4849-5
0.570
RYA-UNI-6d7114fd-1
0.567
RAL-THA-05e671eb-2
0.567
ALP-POS-869ac754-1
0.567
VLA-UNK-8e76d113-2
0.564
ALF-EVA-82cf4849-6
0.564
MIC-UNK-8758c41d-1
0.560
ALP-UNI-ba800595-1
0.560
ALF-EVA-b701bd13-2
0.558
ALF-EVA-b701bd13-1
0.558
MAR-UCB-6ab2ec87-1
0.556
ALF-EVA-82cf4849-9
0.556
ALF-EVA-82cf4849-10
0.552
MAT-POS-96f51285-6
0.552
EDJ-MED-611d11e7-8
0.552
EDJ-MED-611d11e7-2
0.552
ALP-UNI-8d415491-5
0.552
MAT-POS-ec6d90b7-6
0.552
RAL-THA-05e671eb-21
0.551
ROB-UNI-611831f5-2
0.548
ALP-POS-fe871b40-6
0.548
VLA-UNK-8e76d113-1
0.546
ALP-POS-869ac754-2
0.544
MIC-UNK-8758c41d-2
0.543
BEN-DND-a02b439d-14
0.533
ALP-POS-477dc5b7-1
0.527
MIC-UNK-91acba05-4
0.527
FRA-DIA-0fa076fe-2
0.516
ALP-POS-ce760d3f-1
0.516
ALP-POS-fe871b40-2
0.515
PET-UNK-c0891748-8
0.511
MAT-POS-78e1d523-1
0.511
EDJ-MED-12f7f543-1
0.511
PET-UNK-c0891748-2
0.511
RAL-THA-05e671eb-25
0.511
ALP-POS-fe871b40-5
0.511
ALP-POS-d91e0300-1
0.510
RAL-THA-05e671eb-10
0.510
MAT-POS-a13804f0-2
0.510
ALF-EVA-5b152d2f-1
0.510
RAL-THA-05e671eb-9
0.510
ALP-POS-fe871b40-9
0.510
MAT-POS-a13804f0-3
0.510
EDJ-MED-a6bd50ad-1
0.505
MIC-UNK-45817b9b-1
0.505
MAT-POS-43c25e9b-2
0.505
ALP-UNI-3735e77e-2
0.505
MAT-POS-43c25e9b-1
0.505
RAL-THA-05e671eb-16
0.505
ALP-POS-fe871b40-15
0.505
BEN-DND-a02b439d-2
0.505
ALP-UNI-3735e77e-3
0.500
VLA-UNK-9a7dc93f-3
0.500
FRA-DIA-0fa076fe-1
0.500
FRA-DIA-c7e803f4-1
0.500
ROB-UNI-322e8f70-2
0.500
FRA-DIA-b66f7109-4
0.500
BEN-DND-34fc7f90-8
0.500
RAL-THA-05e671eb-11
0.500
BEN-DND-a02b439d-1
0.500
BEN-DND-a02b439d-15
0.500
DAR-DIA-0587064e-18
0.495
DAR-DIA-0f2f46c9-10
0.495
LUO-POS-868e8996-13
0.495
MAT-POS-b3e365b9-1
0.495
MAT-POS-f7918075-1
0.495
RAL-THA-05e671eb-3
0.495
LUO-POS-868e8996-14
0.495
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-66a736cf-1
0.495
MAT-POS-b3e365b9-2
0.495
MIC-UNK-91acba05-3
0.495