Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCNc2cc(C3CC3)c(Cl)cc21 |
MW: | 377.13 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 54.02 |
cLogP: | 5.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALF-EVA-82cf4849-1
0.771
MAT-POS-78e1d523-5
0.768
ALP-UNI-3735e77e-4
0.768
MAT-POS-78e1d523-6
0.768
MAT-POS-f9802937-9
0.768
MAT-POS-f9802937-8
0.768
ALP-UNI-ba800595-2
0.741
ALP-POS-fe871b40-10
0.741
EDJ-MED-92e193ae-2
0.659
MIC-UNK-91acba05-5
0.659
EDJ-MED-92e193ae-1
0.659
ALP-POS-477dc5b7-2
0.659
ALF-EVA-b701bd13-5
0.633
VLA-UNK-8e76d113-2
0.613
ALP-UNI-ba800595-1
0.611
ALF-EVA-b701bd13-3
0.604
VLA-UNK-8e76d113-1
0.594
ALF-EVA-82cf4849-5
0.585
ALF-EVA-82cf4849-7
0.573
ALP-UNI-8d415491-3
0.571
ROB-UNI-611831f5-2
0.564
ALP-POS-fe871b40-6
0.564
ALP-POS-fe871b40-2
0.562
ALF-EVA-b701bd13-4
0.560
FRA-DIA-b66f7109-4
0.560
ALP-UNI-8d415491-4
0.559
EDJ-MED-611d11e7-11
0.559
ALP-UNI-8d415491-6
0.558
MAT-POS-ec6d90b7-5
0.558
EDJ-MED-611d11e7-5
0.558
ALF-EVA-b701bd13-6
0.558
BEN-DND-f06bfa8e-6
0.553
BEN-DND-f06bfa8e-1
0.552
DAR-DIA-0587064e-18
0.538
DAR-DIA-0587064e-11
0.538
DAR-DIA-0587064e-27
0.537
ALF-EVA-82cf4849-6
0.531
DAR-DIA-0587064e-14
0.529
DAR-DIA-0587064e-13
0.529
DAR-DIA-0587064e-23
0.528
ALP-POS-869ac754-2
0.527
MIC-UNK-8758c41d-1
0.526
ALF-EVA-b701bd13-1
0.525
ALF-EVA-b701bd13-2
0.525
ALF-EVA-82cf4849-9
0.521
ALP-POS-fe871b40-16
0.521
VLA-UNK-56836b69-1
0.521
MIC-UNK-8758c41d-3
0.521
MAT-POS-96f51285-6
0.520
ALF-EVA-82cf4849-10
0.520
EDJ-MED-611d11e7-8
0.520
EDJ-MED-611d11e7-2
0.520
ALP-UNI-8d415491-5
0.520
MAT-POS-ec6d90b7-6
0.520
DAR-DIA-0587064e-16
0.519
RAL-THA-05e671eb-21
0.516
RAL-THA-05e671eb-2
0.516
ALP-POS-869ac754-1
0.516
RYA-UNI-6d7114fd-1
0.516
VLA-UNK-9a7dc93f-3
0.515
LUO-POS-868e8996-14
0.510
MAT-POS-66a736cf-1
0.510
LUO-POS-868e8996-13
0.510
MIC-UNK-91acba05-3
0.510
DAR-DIA-0587064e-21
0.509
DAR-DIA-0587064e-25
0.509
MAR-UCB-6ab2ec87-1
0.505
ALP-POS-fe871b40-15
0.505
FRA-DIA-0fa076fe-2
0.500
RAL-THA-05e671eb-9
0.495
ALP-POS-fe871b40-9
0.495
MAT-POS-a13804f0-3
0.495
ALP-POS-d91e0300-1
0.495
MAT-POS-a13804f0-2
0.495
RAL-THA-05e671eb-10
0.495
ALP-POS-477dc5b7-1
0.495
MIC-UNK-8758c41d-2
0.495
MIC-UNK-91acba05-4
0.495
RAL-THA-4aa06b95-1
0.490
EDJ-MED-a6bd50ad-1
0.490
RAL-THA-05e671eb-16
0.490
ALP-UNI-3735e77e-2
0.490
MIC-UNK-45817b9b-1
0.490
MAT-POS-43c25e9b-2
0.490
MAT-POS-43c25e9b-1
0.490
MAT-POS-f39f51fd-1
0.490
ALP-UNI-8d415491-1
0.489
RAL-THA-05e671eb-11
0.485
ALP-POS-ce760d3f-1
0.485
ROB-UNI-322e8f70-2
0.485
ALP-UNI-3735e77e-3
0.485
BEN-DND-a02b439d-14
0.485
FRA-DIA-c7e803f4-1
0.484
FRA-DIA-0fa076fe-1
0.484
RAL-THA-8f106089-4
0.481
EDJ-MED-43f8f7d6-7
0.481
EDJ-MED-12c4873b-6
0.481
RAL-THA-8f106089-3
0.481
DAR-DIA-0f2f46c9-10
0.480
ALF-EVA-5b152d2f-1
0.480