Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 386.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
PET-UNK-a7639856-1
PET-UNK-7f7e354d-7
RAL-THA-05e671eb-17
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-12
EDJ-MED-37aac4bd-4
EDG-MED-10fcb19e-1
PET-UNK-a7639856-2
PET-UNK-f4e47ebd-2
PET-UNK-d899bab6-2
PET-UNK-b38839dc-1
RAL-THA-2d450e86-14
RUB-POS-1325a9ea-14
MAT-POS-96f51285-2
PET-UNK-f4e47ebd-1
JIN-POS-6dc588a4-11
PET-UNK-81b485b5-1
1.000
MAT-POS-932d1078-2
0.770
EDJ-MED-37aac4bd-4
0.770
MAT-POS-932d1078-3
0.770
PET-UNK-81b485b5-20
0.756
PET-UNK-81b485b5-6
0.756
PET-UNK-81b485b5-26
0.734
PET-UNK-81b485b5-12
0.734
PET-UNK-81b485b5-7
0.728
PET-UNK-81b485b5-21
0.728
ALP-POS-fe871b40-3
0.717
PET-UNK-81b485b5-23
0.711
PET-UNK-81b485b5-9
0.711
PET-UNK-81b485b5-25
0.697
PET-UNK-81b485b5-11
0.697
PET-UNK-81b485b5-22
0.695
PET-UNK-81b485b5-27
0.695
PET-UNK-81b485b5-8
0.695
PET-UNK-81b485b5-13
0.695
PET-UNK-81b485b5-14
0.684
PET-UNK-81b485b5-28
0.684
PET-UNK-81b485b5-5
0.677
PET-UNK-81b485b5-19
0.677
PET-UNK-81b485b5-10
0.673
PET-UNK-81b485b5-24
0.673
PET-UNK-81b485b5-18
0.670
PET-UNK-81b485b5-4
0.670
EDJ-MED-d08626de-2
0.663
EDJ-MED-d08626de-1
0.663
PET-UNK-29afea89-2
0.663
EDG-MED-0e5afe9d-3
0.663
EDJ-MED-37aac4bd-5
0.645
PET-UNK-c0891748-1
0.645
PET-UNK-c0891748-7
0.645
ALP-POS-fe871b40-7
0.645
MAT-POS-993cdc78-1
0.642
PET-UNK-81b485b5-2
0.642
ALP-POS-fe871b40-11
0.642
MAT-POS-993cdc78-2
0.642
PET-UNK-81b485b5-16
0.642
PET-UNK-81b485b5-17
0.629
PET-UNK-81b485b5-3
0.629
MAT-POS-78e1d523-3
0.617
EDJ-MED-d08626de-3
0.617
MAT-POS-78e1d523-4
0.617
EDJ-MED-d08626de-4
0.617
EDJ-MED-d08626de-5
0.617
EDJ-MED-37aac4bd-1
0.617
MIC-UNK-ea4eb352-3
0.588
MAT-POS-d8472c4f-3
0.588
MIC-UNK-ea4eb352-12
0.588
MIC-UNK-ea4eb352-4
0.583
MAR-UCB-6ab2ec87-3
0.579
NIR-THE-3fc2bec4-1
0.576
MIC-UNK-ea4eb352-11
0.576
ALP-POS-fe871b40-12
0.576
PET-UNK-1b92fa34-5
0.571
EDJ-MED-211392e3-1
0.566
MIC-UNK-ea4eb352-1
0.566
PET-UNK-022eab87-2
0.562
VLA-UNK-a5257d84-1
0.561
PET-UNK-10c83c8b-1
0.554
MIC-UNK-ea4eb352-8
0.551
MIC-UNK-ea4eb352-9
0.549
DAR-DIA-9f765dc6-13
0.547
DAR-DIA-9f765dc6-14
0.547
DAR-DIA-9f765dc6-15
0.547
DAR-DIA-e7614d05-2
0.545
ALP-POS-93b3621f-1
0.545
DAR-DIA-e7614d05-3
0.545
DAR-DIA-e7614d05-1
0.545
MIC-UNK-ddc6ad53-1
0.544
PET-UNK-1abb40f2-1
0.540
MAT-POS-89e65850-1
0.540
PET-UNK-1abb40f2-3
0.540
MAT-POS-a5ef2d74-2
0.540
MAT-POS-c7771779-2
0.540
MAT-POS-89e65850-2
0.540
EDJ-MED-611d11e7-4
0.540
PET-UNK-9bf1291a-3
0.540
MAT-POS-ec6d90b7-4
0.540
ALP-POS-fe871b40-8
0.540
PET-UNK-824b5c6a-1
0.539
PET-UNK-3bb57da2-3
0.538
MAT-POS-8e4737f4-1
0.536
DAR-DIA-6a508060-10
0.536
BEN-DND-a7517465-4
0.536
EDJ-MED-e4b030d8-13
0.536
MIC-UNK-ea4eb352-7
0.535
EDJ-MED-4f704dc9-1
0.535
ALP-POS-f1807566-3
0.535
PET-UNK-c0891748-3
0.535
PET-UNK-c0891748-5
0.535
PET-UNK-c0891748-9
0.535
PET-UNK-c0891748-11
0.535
MAT-POS-f9802937-1
0.535
EDJ-MED-37aac4bd-3
0.534
PET-UNK-1b92fa34-7
0.534
PET-UNK-1abb40f2-4
0.529
PET-UNK-1abb40f2-2
0.529