Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CNCc2cc(Cl)c(Cl)cc21 |
MW: | 371.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-3ccb8ef6-1
BEN-DND-34fc7f90-7
0.725
MAT-POS-3ccb8ef6-1
0.716
MAT-POS-d8472c4f-5
0.716
MAT-POS-3ccb8ef6-2
0.716
BEN-DND-f2e727cd-5
0.716
BEN-DND-34fc7f90-6
0.707
BEN-DND-a02b439d-10
0.667
BEN-DND-34fc7f90-5
0.640
ALF-EVA-b701bd13-4
0.619
BEN-DND-a02b439d-15
0.602
BEN-DND-34fc7f90-8
0.602
MIC-UNK-8758c41d-2
0.598
BEN-DND-a02b439d-2
0.587
BEN-DND-a02b439d-1
0.581
MIC-UNK-8758c41d-3
0.556
VLA-UNK-56836b69-1
0.556
ALP-POS-fe871b40-16
0.556
BEN-DND-a02b439d-3
0.546
ALP-UNI-3735e77e-4
0.544
MAT-POS-f9802937-8
0.544
MAT-POS-78e1d523-5
0.544
MIC-UNK-8758c41d-1
0.544
MAT-POS-f9802937-9
0.544
MAT-POS-78e1d523-6
0.544
ALF-EVA-b701bd13-6
0.543
MAR-UCB-6ab2ec87-1
0.539
DAR-DIA-9f765dc6-2
0.538
DAR-DIA-9f765dc6-5
0.538
DAR-DIA-9f765dc6-6
0.538
RAL-THA-05e671eb-2
0.533
RYA-UNI-6d7114fd-1
0.533
ALP-POS-869ac754-1
0.533
ALF-EVA-b701bd13-5
0.533
MAT-POS-865c3497-1
0.522
MAT-POS-865c3497-2
0.522
MAT-POS-22e8b45a-1
0.522
ROB-UNI-322e8f70-3
0.522
MIC-UNK-91acba05-1
0.522
BEN-DND-11faade0-1
0.517
FRA-DIA-0fa076fe-2
0.517
BEN-DND-d6f8d3c6-1
0.516
EDJ-MED-e18764cb-2
0.516
VLA-UNK-9a7dc93f-3
0.516
ALP-POS-a577c8a2-1
0.516
MAT-POS-af1eef35-3
0.516
ALP-UNI-c3ef0aba-2
0.511
BEN-DND-f2e727cd-4
0.511
DAR-DIA-9f765dc6-1
0.511
DAR-DIA-9f765dc6-3
0.511
DAR-DIA-9f765dc6-4
0.511
ALF-EVA-b701bd13-3
0.505
EDJ-MED-12c115cc-1
0.500
VLA-UNK-8e76d113-1
0.500
ALF-EVA-82cf4849-1
0.500
PET-UNK-1b92fa34-3
0.500
MAT-POS-f7918075-2
0.500
FRA-DIA-0fa076fe-1
0.500
FRA-DIA-c7e803f4-1
0.500
EDJ-MED-12c115cc-2
0.500
MAT-POS-bbbbc21a-2
0.500
ALP-POS-fe871b40-10
0.495
MAT-POS-dd3ad2b5-1
0.495
ALP-UNI-ba800595-2
0.495
BEN-DND-f2e727cd-6
0.495
ALP-POS-477dc5b7-1
0.495
MIC-UNK-91acba05-4
0.495
ALP-UNI-ba800595-1
0.495
ALP-UNI-c3ef0aba-1
0.495
PET-UNK-9b23ef84-3
0.490
ALP-POS-fe871b40-15
0.490
ALF-EVA-82cf4849-5
0.490
MAT-POS-f39f51fd-1
0.489
BEN-BAS-c2bc0d80-4
0.489
PET-UNK-022eab87-1
0.489
BEN-DND-a02b439d-9
0.489
FRA-DIA-b66f7109-1
0.485
ALF-EVA-82cf4849-2
0.485
VLA-UNK-8e76d113-2
0.485
PET-UNK-1b92fa34-1
0.484
MAT-POS-acfe5bae-6
0.484
ALP-POS-f1807566-1
0.484
BEN-DND-a02b439d-5
0.484
RAL-THA-05e671eb-21
0.484
MIC-UNK-54748b58-3
0.480
MAT-POS-4223bc15-15
0.480
MAT-POS-4223bc15-27
0.480
EDJ-MED-12c4873b-3
0.480
MAT-POS-64942dd0-3
0.480
MAT-POS-a13804f0-2
0.479
RAL-THA-05e671eb-10
0.479
MAT-POS-a13804f0-3
0.479
RAL-THA-05e671eb-9
0.479
ALP-POS-fe871b40-9
0.479
ALP-POS-d91e0300-1
0.479
MAR-UCB-6ab2ec87-6
0.479
MAT-POS-78e1d523-1
0.479
RAL-THA-05e671eb-3
0.479
MAT-POS-66a736cf-1
0.479
LUO-POS-868e8996-13
0.479
LUO-POS-868e8996-14
0.479