Molecular Properties | |
SMILES: | O=C1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(Cl)cc2N1 |
MW: | 399.05 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 5.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-3735e77e-4
ALP-POS-fe871b40-16
0.756
VLA-UNK-56836b69-1
0.756
MIC-UNK-8758c41d-3
0.756
ALP-UNI-3735e77e-4
0.682
MAT-POS-f9802937-9
0.682
MAT-POS-78e1d523-6
0.682
MAT-POS-78e1d523-5
0.682
MAT-POS-f9802937-8
0.682
ALF-EVA-b701bd13-5
0.667
ALF-EVA-b701bd13-4
0.647
ALP-POS-fe871b40-15
0.615
ALP-POS-fe871b40-10
0.587
ALP-UNI-ba800595-2
0.587
VLA-UNK-9a7dc93f-3
0.576
ALF-EVA-82cf4849-1
0.576
EDJ-MED-a6bd50ad-1
0.565
ALF-EVA-b701bd13-3
0.565
MIC-UNK-45817b9b-1
0.565
MAT-POS-43c25e9b-2
0.565
MAT-POS-43c25e9b-1
0.565
RYA-UNI-6d7114fd-1
0.560
ALP-POS-869ac754-1
0.560
RAL-THA-05e671eb-2
0.560
ALF-EVA-82cf4849-2
0.558
MIC-UNK-8758c41d-1
0.554
MIC-UNK-8758c41d-2
0.554
EDJ-MED-92e193ae-1
0.548
EDJ-MED-92e193ae-2
0.548
ALP-POS-477dc5b7-2
0.548
MIC-UNK-91acba05-5
0.548
BEN-DND-a02b439d-14
0.543
MAT-POS-f39f51fd-1
0.532
MAT-POS-8d5af1ef-1
0.532
ALF-EVA-82cf4849-5
0.531
FRA-DIA-0fa076fe-2
0.527
RAL-THA-05e671eb-21
0.527
ALP-POS-fe871b40-6
0.526
ALP-POS-ce760d3f-1
0.526
ROB-UNI-611831f5-2
0.526
VLA-UNK-8e76d113-2
0.526
VLA-UNK-8e76d113-1
0.525
ALP-UNI-ba800595-1
0.521
RAL-THA-05e671eb-10
0.521
MAT-POS-a13804f0-2
0.521
MAT-POS-a13804f0-3
0.521
ALP-POS-fe871b40-14
0.521
ALP-POS-fe871b40-9
0.521
ALP-POS-d91e0300-1
0.521
MAR-UCB-6ab2ec87-1
0.516
RAL-THA-05e671eb-11
0.510
ALP-UNI-3735e77e-3
0.510
BEN-DND-34fc7f90-8
0.510
BEN-DND-a02b439d-15
0.510
FRA-DIA-b66f7109-4
0.510
ALP-POS-869ac754-2
0.505
ALP-POS-fe871b40-5
0.505
PET-UNK-c0891748-8
0.505
ALP-POS-477dc5b7-1
0.505
MIC-UNK-91acba05-4
0.505
RAL-THA-05e671eb-25
0.505
MAT-POS-78e1d523-1
0.505
EDJ-MED-12f7f543-1
0.505
PET-UNK-c0891748-2
0.505
ALP-UNI-8d415491-6
0.505
MAT-POS-ec6d90b7-5
0.505
EDJ-MED-611d11e7-5
0.505
RAL-THA-05e671eb-9
0.505
ALP-UNI-3735e77e-2
0.500
BEN-DND-f06bfa8e-1
0.500
DAR-DIA-9f765dc6-6
0.500
ALP-UNI-8d415491-3
0.500
BEN-DND-f06bfa8e-6
0.500
RAL-THA-05e671eb-16
0.500
DAR-DIA-9f765dc6-2
0.500
DAR-DIA-9f765dc6-5
0.500
BEN-BAS-c2bc0d80-4
0.500
FRA-DIA-b66f7109-1
0.495
FRA-DIA-0fa076fe-1
0.495
FRA-DIA-c7e803f4-1
0.495
FRA-DIA-b66f7109-3
0.491
ALF-EVA-82cf4849-7
0.490
ALP-POS-fe871b40-13
0.490
BEN-BAS-c2bc0d80-5
0.490
DAR-DIA-9f765dc6-1
0.490
DAR-DIA-9f765dc6-4
0.490
RAL-THA-05e671eb-17
0.490
DAR-DIA-9f765dc6-3
0.490
LUO-POS-868e8996-14
0.490
ALP-UNI-8d415491-4
0.490
MAT-POS-66a736cf-1
0.490
LUO-POS-868e8996-13
0.490
EDJ-MED-611d11e7-11
0.490
RAL-THA-05e671eb-13
0.490
MAT-POS-b3e365b9-2
0.490
MIC-UNK-91acba05-3
0.490
RAL-THA-05e671eb-3
0.490
MAT-POS-f7918075-1
0.490
MAT-POS-b3e365b9-1
0.490
VLA-UCB-1dbca3b4-15
0.490
BEN-DND-a02b439d-2
0.485