Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCSc2ccc(Cl)cc21 |
MW: | 384.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-12
0.724
MIC-UNK-ea4eb352-8
0.721
EDJ-MED-d08626de-1
0.620
PET-UNK-29afea89-2
0.620
EDG-MED-0e5afe9d-3
0.620
EDJ-MED-d08626de-2
0.620
MIC-UNK-ea4eb352-3
0.613
MAT-POS-d8472c4f-3
0.613
EDJ-MED-211392e3-1
0.606
MIC-UNK-ea4eb352-1
0.606
PET-UNK-1b92fa34-5
0.596
MAR-UCB-6ab2ec87-3
0.587
PET-UNK-022eab87-2
0.587
PET-UNK-c0891748-1
0.585
PET-UNK-c0891748-7
0.585
ALP-POS-fe871b40-7
0.585
EDJ-MED-37aac4bd-5
0.585
PET-UNK-81b485b5-15
0.583
PET-UNK-81b485b5-1
0.583
PET-UNK-c0891748-3
0.573
PET-UNK-c0891748-9
0.573
ALP-POS-f1807566-3
0.573
MAT-POS-89e65850-1
0.562
PET-UNK-1abb40f2-3
0.562
MAT-POS-c7771779-2
0.562
MAT-POS-89e65850-2
0.562
PET-UNK-9bf1291a-3
0.562
ALP-POS-fe871b40-8
0.562
PET-UNK-1abb40f2-1
0.562
MAT-POS-78e1d523-3
0.558
EDJ-MED-d08626de-3
0.558
MAT-POS-78e1d523-4
0.558
EDJ-MED-d08626de-4
0.558
EDJ-MED-d08626de-5
0.558
EDJ-MED-37aac4bd-1
0.558
PET-UNK-c0891748-5
0.557
PET-UNK-c0891748-11
0.557
MAT-POS-f9802937-1
0.557
ALP-POS-fe871b40-3
0.556
ALP-POS-fe871b40-11
0.551
NIR-THE-3fc2bec4-1
0.551
PET-UNK-1abb40f2-2
0.551
MAT-POS-993cdc78-2
0.551
MIC-UNK-ea4eb352-11
0.551
ALP-POS-fe871b40-12
0.551
MAT-POS-993cdc78-1
0.551
PET-UNK-1abb40f2-4
0.551
MAT-POS-83a7b0a0-1
0.545
EDJ-MED-b1cef252-1
0.545
MAT-POS-89bd6af1-4
0.545
PET-UNK-9bf1291a-1
0.545
MIC-UNK-ea4eb352-2
0.545
ALP-POS-5290f14d-1
0.545
EDJ-MED-4f704dc9-1
0.542
MIC-UNK-ea4eb352-7
0.542
MIC-UNK-ea4eb352-9
0.540
MIC-UNK-ea4eb352-5
0.536
PET-UNK-9bf1291a-5
0.535
MAT-POS-932d1078-2
0.531
EDJ-MED-37aac4bd-4
0.531
MAT-POS-932d1078-3
0.531
ALP-POS-fe871b40-4
0.529
PET-UNK-1b92fa34-7
0.525
EDJ-MED-cf877e1d-2
0.524
PET-UNK-88d26eaf-1
0.524
VLA-UNK-a5257d84-1
0.520
PET-UNK-824b5c6a-1
0.515
PET-UNK-3bb57da2-3
0.515
PET-UNK-4d432d33-3
0.514
PET-UNK-4d432d33-7
0.514
PET-UNK-4d432d33-8
0.514
PET-UNK-4d432d33-4
0.514
MAT-POS-2905de8c-3
0.510
PET-UNK-824b5c6a-3
0.510
PET-UNK-0d6841fa-7
0.510
PET-UNK-757f8bc8-3
0.509
EDJ-MED-015fb6b4-1
0.509
MIC-UNK-54748b58-2
0.509
EDJ-MED-b1cef252-2
0.509
MAT-POS-89bd6af1-2
0.509
PET-UNK-6da3dcd8-8
0.509
MAT-POS-83a7b0a0-2
0.509
DAR-DIA-e7614d05-2
0.505
ALP-POS-93b3621f-1
0.505
DAR-DIA-e7614d05-3
0.505
DAR-DIA-e7614d05-1
0.505
PET-UNK-bcc8fd08-1
0.505
PET-UNK-ad758083-3
0.505
ED_-GRI-5b13fbe2-68
0.505
PET-UNK-757f8bc8-4
0.505
PET-UNK-5ad1c31a-3
0.505
PET-UNK-5ad1c31a-4
0.505
PET-UNK-5ad1c31a-9
0.505
PET-UNK-5ad1c31a-10
0.505
PET-UNK-9b23ef84-4
0.505
PET-UNK-9b23ef84-8
0.505
PET-UNK-9b23ef84-12
0.505
EDG-MED-971238d3-11
0.500
EDJ-MED-28ec730d-3
0.500
PET-UNK-ad758083-5
0.500