Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1COc2c(Cl)cc(O)cc21 |
MW: | 340.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.45 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
FRA-DIA-0fa076fe-1
0.697
FRA-DIA-c7e803f4-1
0.697
MAR-UCB-6ab2ec87-4
0.675
FRA-DIA-b66f7109-2
0.633
ALP-UNI-3735e77e-2
0.593
RAL-THA-05e671eb-16
0.593
MAT-POS-f7918075-2
0.590
EDJ-MED-12c115cc-2
0.590
MAT-POS-bbbbc21a-2
0.590
EDJ-MED-12c115cc-1
0.590
RAL-THA-05e671eb-21
0.571
ALP-POS-869ac754-1
0.570
RAL-THA-05e671eb-2
0.570
RYA-UNI-6d7114fd-1
0.570
FRA-DIA-0fa076fe-3
0.560
ALF-EVA-ced740bd-4
0.553
ALP-POS-ce760d3f-1
0.551
ALP-UNI-c3ef0aba-1
0.547
ALP-POS-869ac754-2
0.547
MAT-POS-a13804f0-2
0.544
RAL-THA-05e671eb-10
0.544
MAT-POS-a13804f0-3
0.544
RAL-THA-05e671eb-9
0.544
ALP-POS-fe871b40-9
0.544
ALP-POS-d91e0300-1
0.544
ALP-UNI-3735e77e-3
0.533
RAL-THA-05e671eb-11
0.533
VLA-UNK-9a7dc93f-3
0.533
EDJ-MED-e4b030d8-5
0.533
ALF-EVA-b701bd13-4
0.529
MIC-UNK-8758c41d-1
0.528
PET-UNK-c0891748-2
0.528
MAT-POS-b3e365b9-1
0.528
MAT-POS-b3e365b9-2
0.528
MAT-POS-f9802937-9
0.528
MAT-POS-78e1d523-6
0.528
MIC-UNK-8758c41d-2
0.528
VLA-UCB-1dbca3b4-15
0.528
MAT-POS-f7918075-1
0.528
BEN-DND-f2e727cd-4
0.528
EDJ-MED-12f7f543-1
0.528
ALP-UNI-3735e77e-4
0.528
RAL-THA-05e671eb-25
0.528
ALP-POS-fe871b40-5
0.528
MAT-POS-f9802937-8
0.528
MAT-POS-78e1d523-5
0.528
ALP-UNI-c3ef0aba-2
0.528
RAL-THA-05e671eb-3
0.528
PET-UNK-c0891748-8
0.528
RAL-THA-05e671eb-17
0.527
ALF-EVA-b701bd13-6
0.527
RAL-THA-05e671eb-18
0.527
RAL-THA-05e671eb-1
0.523
ALP-UNI-4b8a177c-1
0.522
ALF-EVA-b701bd13-3
0.522
BEN-DND-a02b439d-14
0.517
RAL-THA-05e671eb-32
0.517
ALF-EVA-b701bd13-5
0.516
ALF-EVA-82cf4849-1
0.516
DAR-DIA-6a508060-4
0.516
EDJ-MED-e4b030d8-7
0.516
MAT-POS-43fe65f4-1
0.516
RAL-THA-05e671eb-19
0.516
LAU-MED-88a3970a-5
0.516
LAU-MED-88a3970a-6
0.516
MIC-UNK-08fa0751-1
0.515
ALP-POS-477dc5b7-1
0.511
MIC-UNK-91acba05-4
0.511
ALP-UNI-ba800595-1
0.511
ALF-EVA-5b152d2f-1
0.511
ALP-POS-fe871b40-10
0.511
ALP-UNI-ba800595-2
0.511
ALP-POS-fe871b40-1
0.511
RAL-THA-05e671eb-20
0.511
FRA-DIA-b66f7109-3
0.510
BEN-BAS-c2bc0d80-1
0.506
MAT-POS-f39f51fd-1
0.505
ALP-POS-c86619f0-1
0.505
ALP-POS-fe871b40-16
0.505
RAL-THA-05e671eb-26
0.505
MIC-UNK-8758c41d-3
0.505
VLA-UNK-56836b69-1
0.505
DAR-DIA-9f765dc6-2
0.505
DAR-DIA-9f765dc6-5
0.505
DAR-DIA-9f765dc6-6
0.505
ALF-EVA-82cf4849-5
0.505
EDJ-MED-e4b030d8-4
0.505
LAU-MED-88a3970a-8
0.505
LAU-MED-88a3970a-7
0.505
LAU-MED-88a3970a-3
0.505
LAU-MED-88a3970a-4
0.505
MAT-POS-5369c344-1
0.500
DAR-DIA-0587064e-15
0.500
LAU-MED-88a3970a-1
0.500
RAL-THA-05e671eb-22
0.500
MAT-POS-2e8b2191-2
0.500
BEN-DND-34fc7f90-8
0.500
BEN-BAS-c2bc0d80-2
0.500
LAU-MED-88a3970a-2
0.500
BEN-DND-a02b439d-15
0.500