Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CNc2cc(Cl)c(Cl)cc21 |
MW: | 357.04 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-3735e77e-4
ALF-EVA-b701bd13-5
0.716
MAT-POS-f9802937-8
0.713
MAT-POS-f9802937-9
0.713
MAT-POS-78e1d523-5
0.713
MAT-POS-78e1d523-6
0.713
ALP-UNI-3735e77e-4
0.713
MAR-UCB-6ab2ec87-1
0.688
VLA-UNK-56836b69-1
0.663
MIC-UNK-8758c41d-3
0.663
ALP-POS-fe871b40-16
0.663
MIC-UNK-8758c41d-2
0.651
ALF-EVA-b701bd13-6
0.647
BEN-DND-a02b439d-14
0.619
DAR-DIA-9f765dc6-6
0.586
DAR-DIA-9f765dc6-5
0.586
DAR-DIA-9f765dc6-2
0.586
ALF-EVA-82cf4849-1
0.580
ALP-POS-fe871b40-10
0.573
ALP-UNI-ba800595-2
0.573
ROB-UNI-322e8f70-3
0.568
MAT-POS-865c3497-2
0.568
MIC-UNK-91acba05-1
0.568
MAT-POS-22e8b45a-1
0.568
MAT-POS-865c3497-1
0.568
MAT-POS-af1eef35-3
0.562
BEN-DND-d6f8d3c6-1
0.562
EDJ-MED-e18764cb-2
0.562
ALP-POS-a577c8a2-1
0.562
ALF-EVA-82cf4849-2
0.560
MIC-UNK-8758c41d-1
0.557
DAR-DIA-9f765dc6-1
0.556
DAR-DIA-9f765dc6-3
0.556
DAR-DIA-9f765dc6-4
0.556
RYA-UNI-6d7114fd-1
0.545
RAL-THA-05e671eb-2
0.545
ALP-POS-869ac754-1
0.545
ROB-UNI-322e8f70-2
0.544
MAT-POS-d8472c4f-5
0.539
BEN-DND-f2e727cd-5
0.539
MAT-POS-3ccb8ef6-1
0.539
MAT-POS-3ccb8ef6-2
0.539
MIC-UNK-91acba05-5
0.533
ALP-POS-477dc5b7-2
0.533
EDJ-MED-92e193ae-1
0.533
EDJ-MED-92e193ae-2
0.533
ALF-EVA-b701bd13-3
0.533
ALP-POS-fe871b40-15
0.533
ALF-EVA-82cf4849-5
0.533
FRA-DIA-0fa076fe-2
0.529
BEN-DND-11faade0-1
0.529
VLA-UNK-9a7dc93f-3
0.527
BEN-DND-34fc7f90-8
0.527
BEN-DND-a02b439d-15
0.527
ALP-POS-f1807566-1
0.527
MAT-POS-acfe5bae-6
0.527
VLA-UNK-8e76d113-2
0.527
FRA-DIA-b66f7109-1
0.526
ALP-UNI-ba800595-1
0.522
ALP-UNI-8d415491-3
0.517
MAT-POS-43c25e9b-1
0.516
MIC-UNK-45817b9b-1
0.516
MAT-POS-43c25e9b-2
0.516
EDJ-MED-a6bd50ad-1
0.516
BEN-DND-a02b439d-2
0.516
FRA-DIA-c7e803f4-1
0.512
FRA-DIA-0fa076fe-1
0.512
ALP-POS-fe871b40-6
0.511
ALP-POS-ce760d3f-1
0.511
ROB-UNI-611831f5-2
0.511
PET-UNK-1b92fa34-3
0.511
BEN-DND-a02b439d-1
0.510
VLA-UNK-8e76d113-1
0.510
ALP-POS-869ac754-2
0.506
ALP-UNI-c3ef0aba-1
0.506
ALP-UNI-8d415491-4
0.505
EDJ-MED-611d11e7-11
0.505
EDJ-MED-611d11e7-5
0.505
ALP-UNI-8d415491-6
0.505
MAT-POS-ec6d90b7-5
0.505
ALF-EVA-82cf4849-7
0.505
MIC-UNK-54748b58-3
0.505
BEN-DND-f06bfa8e-1
0.500
BEN-DND-f06bfa8e-6
0.500
BEN-BAS-c2bc0d80-4
0.500
MAT-POS-f39f51fd-1
0.500
PET-UNK-022eab87-1
0.500
PET-UNK-1b92fa34-1
0.495
MAT-POS-bbbbc21a-2
0.494
RAL-THA-05e671eb-21
0.494
EDJ-MED-12c115cc-1
0.494
EDJ-MED-12c115cc-2
0.494
MAT-POS-f7918075-2
0.494
ALP-POS-fe871b40-14
0.489
RAL-THA-05e671eb-9
0.489
ALP-POS-fe871b40-9
0.489
MAT-POS-a13804f0-2
0.489
MAT-POS-a13804f0-3
0.489
RAL-THA-05e671eb-10
0.489
ALP-POS-d91e0300-1
0.489
RAL-THA-05e671eb-25
0.489