Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCNc2c(Cl)cc(Cl)cc21 |
MW: | 371.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-fe871b40-2
0.706
FRA-DIA-b66f7109-4
0.678
DAR-DIA-0587064e-16
0.663
DAR-DIA-0587064e-13
0.659
DAR-DIA-0587064e-14
0.659
VLA-UNK-8e76d113-2
0.648
MAT-POS-f39f51fd-1
0.640
MIC-UNK-91acba05-5
0.640
ALP-POS-477dc5b7-2
0.640
EDJ-MED-92e193ae-1
0.640
EDJ-MED-92e193ae-2
0.640
DAR-DIA-0587064e-23
0.635
ALP-POS-fe871b40-6
0.632
ROB-UNI-611831f5-2
0.632
DAR-DIA-0587064e-11
0.632
DAR-DIA-0587064e-18
0.632
MAT-POS-78e1d523-6
0.628
MAT-POS-78e1d523-5
0.628
MAT-POS-f9802937-8
0.628
ALP-UNI-3735e77e-4
0.628
MAT-POS-f9802937-9
0.628
VLA-UNK-8e76d113-1
0.626
ALF-EVA-b701bd13-3
0.621
ALF-EVA-82cf4849-1
0.614
DAR-DIA-0587064e-21
0.612
ALF-EVA-82cf4849-2
0.611
DAR-DIA-0587064e-25
0.610
ALP-UNI-ba800595-2
0.607
ALP-POS-fe871b40-10
0.607
ALP-UNI-3735e77e-2
0.602
RAL-THA-05e671eb-16
0.602
ALF-EVA-82cf4849-5
0.600
DAR-DIA-9f765dc6-2
0.584
DAR-DIA-9f765dc6-5
0.584
DAR-DIA-9f765dc6-6
0.584
RAL-THA-4aa06b95-1
0.565
DAR-DIA-0587064e-27
0.563
ALF-EVA-b701bd13-5
0.560
DAR-DIA-0f2f46c9-12
0.560
MIC-UNK-91acba05-3
0.556
LUO-POS-868e8996-13
0.556
LUO-POS-868e8996-14
0.556
MAT-POS-66a736cf-1
0.556
DAR-DIA-0f2f46c9-10
0.554
DAR-DIA-0f2f46c9-5
0.548
DAR-DIA-0f2f46c9-6
0.548
DAR-DIA-0f2f46c9-4
0.548
EDG-MED-5d232de5-5
0.543
EDG-MED-5d232de5-6
0.543
RAL-THA-8416115c-2
0.543
MIC-UNK-91acba05-6
0.543
ALP-POS-ce760d3f-1
0.543
DAR-DIA-0f2f46c9-2
0.543
DAR-DIA-0f2f46c9-3
0.543
DAR-DIA-0f2f46c9-1
0.543
ALP-POS-869ac754-2
0.539
VLA-UCB-1dbca3b4-15
0.538
MAT-POS-b3e365b9-1
0.538
MIC-UNK-8758c41d-1
0.538
EDJ-MED-12f7f543-1
0.538
PET-UNK-c0891748-8
0.538
RAL-THA-05e671eb-25
0.538
MAT-POS-78e1d523-1
0.538
MAT-POS-f7918075-1
0.538
MAT-POS-b3e365b9-2
0.538
ALP-POS-477dc5b7-1
0.538
MIC-UNK-91acba05-4
0.538
PET-UNK-c0891748-2
0.538
ALP-POS-fe871b40-5
0.538
RAL-THA-05e671eb-17
0.538
RAL-THA-05e671eb-18
0.538
MAR-UCB-6ab2ec87-1
0.533
RAL-THA-c11c1343-1
0.532
ALP-POS-966f8da6-2
0.532
EDG-MED-5d232de5-3
0.532
EDG-MED-5d232de5-4
0.532
RAL-THA-4aa06b95-2
0.531
RAL-THA-05e671eb-21
0.528
RAL-THA-05e671eb-2
0.527
RYA-UNI-6d7114fd-1
0.527
ALP-POS-869ac754-1
0.527
PET-UNK-c0891748-4
0.527
PET-UNK-c0891748-10
0.527
MAT-POS-43fe65f4-1
0.526
RAL-THA-4aa06b95-6
0.526
RAL-THA-8416115c-3
0.526
EDJ-MED-e4b030d8-5
0.526
EDJ-MED-e4b030d8-7
0.526
DAR-DIA-6a508060-4
0.526
RAL-THA-05e671eb-19
0.526
DAR-DIA-0f2f46c9-8
0.526
DAR-DIA-0f2f46c9-9
0.526
DAR-DIA-0f2f46c9-7
0.526
ALF-EVA-b701bd13-4
0.522
RAL-THA-05e671eb-3
0.522
ALF-EVA-b701bd13-6
0.521
ALF-EVA-5b152d2f-1
0.521
DAR-DIA-9f765dc6-1
0.521
DAR-DIA-9f765dc6-3
0.521
DAR-DIA-9f765dc6-4
0.521