Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCNc2cc(F)c(Cl)cc21 |
MW: | 385.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 63.25 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-01-25 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
NIR-THE-3fc2bec4-1
1.000
ALP-POS-fe871b40-12
1.000
EDJ-MED-4f704dc9-1
0.788
MIC-UNK-ea4eb352-7
0.788
MIC-UNK-ea4eb352-3
0.730
MAT-POS-d8472c4f-3
0.730
EDJ-MED-946e547c-1
0.723
MIC-UNK-ea4eb352-12
0.656
ALP-POS-fe871b40-11
0.642
MAT-POS-993cdc78-2
0.642
MAT-POS-993cdc78-1
0.642
VLA-UNK-8e76d113-4
0.616
VLA-UNK-8e76d113-3
0.614
MIC-UNK-ea4eb352-9
0.612
VLA-UNK-a5257d84-1
0.611
ALP-POS-fe871b40-8
0.604
MAT-POS-78e1d523-3
0.583
EDJ-MED-d08626de-3
0.583
MAT-POS-78e1d523-4
0.583
EDJ-MED-d08626de-4
0.583
EDJ-MED-d08626de-5
0.583
EDJ-MED-37aac4bd-1
0.583
MIC-UNK-ea4eb352-8
0.583
PET-UNK-9b23ef84-1
0.580
PET-UNK-81b485b5-1
0.576
PET-UNK-81b485b5-15
0.576
ALP-POS-fe871b40-4
0.569
PET-UNK-1b92fa34-7
0.564
EDG-MED-0e5afe9d-3
0.561
EDJ-MED-d08626de-2
0.561
PET-UNK-29afea89-2
0.561
EDJ-MED-d08626de-1
0.561
MAT-POS-932d1078-2
0.556
MAT-POS-932d1078-3
0.556
EDJ-MED-37aac4bd-4
0.556
MAT-POS-c74bc7b3-1
0.552
MAT-POS-c74bc7b3-2
0.552
MIC-UNK-ea4eb352-4
0.551
MIC-UNK-ea4eb352-1
0.550
EDJ-MED-211392e3-1
0.550
PET-UNK-c0891748-1
0.545
PET-UNK-c0891748-7
0.545
ALP-POS-fe871b40-7
0.545
EDJ-MED-37aac4bd-5
0.545
BEN-DND-a02b439d-13
0.545
MIC-UNK-ea4eb352-5
0.545
EDJ-MED-841e0cf0-2
0.543
EDJ-MED-670ad2ee-2
0.543
MIC-UNK-ea4eb352-10
0.543
MAT-POS-89e65850-1
0.540
MAT-POS-c7771779-2
0.540
ALP-POS-f1807566-3
0.535
MAR-UCB-6ab2ec87-3
0.531
ALP-POS-fe871b40-3
0.519
EDJ-MED-2f867453-2
0.515
PET-UNK-022eab87-2
0.515
PET-UNK-9b23ef84-13
0.513
ALP-UNI-ba800595-2
0.510
ALP-POS-fe871b40-10
0.510
PET-UNK-1abb40f2-1
0.510
PET-UNK-1abb40f2-3
0.510
PET-UNK-9bf1291a-3
0.510
BEN-DND-a02b439d-12
0.510
MAT-POS-f9802937-1
0.505
PET-UNK-03fd2068-7
0.500
PET-UNK-f4e47ebd-21
0.500
PET-UNK-9b23ef84-5
0.500
PET-UNK-9b23ef84-9
0.500
EDJ-MED-670ad2ee-1
0.495
EDJ-MED-841e0cf0-1
0.495
MIC-UNK-ea4eb352-6
0.495
PET-UNK-1b92fa34-5
0.495
DAR-DIA-ecdbc7dd-15
0.495
MAT-POS-89e65850-2
0.495
PET-UNK-c0891748-11
0.490
PET-UNK-c0891748-9
0.490
PET-UNK-c0891748-3
0.490
PET-UNK-c0891748-5
0.490
PET-UNK-9bf1291a-5
0.486
PET-UNK-1abb40f2-2
0.486
PET-UNK-1abb40f2-4
0.486
PET-UNK-4d432d33-8
0.482
PET-UNK-4d432d33-4
0.482
ALP-POS-5290f14d-1
0.481
EDJ-MED-b1cef252-1
0.481
MAT-POS-89bd6af1-4
0.481
MAT-POS-83a7b0a0-1
0.481
PET-UNK-9bf1291a-1
0.481
MIC-UNK-ea4eb352-2
0.481
PET-UNK-f4e47ebd-20
0.481
EDJ-MED-2f867453-1
0.480
DAR-DIA-ecdbc7dd-17
0.477
PET-UNK-03fd2068-8
0.477
DAR-DIA-ecdbc7dd-14
0.477
MIC-UNK-e8d6fb58-1
0.476
PET-UNK-ad758083-3
0.473
DAR-DIA-e7614d05-2
0.472
ALP-POS-93b3621f-1
0.472
DAR-DIA-e7614d05-3
0.472
DAR-DIA-e7614d05-1
0.472