Molecular Properties | |
SMILES: | CNC(=O)CN1CC(OC)(C(=O)Nc2cncc3ccccc23)c2cc(Cl)cc(Cl)c2C1=O |
MW: | 486.09 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 100.63 |
cLogP: | 3.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-9f765dc6-16
1.000
DAR-DIA-9f765dc6-18
1.000
DAR-DIA-9f765dc6-15
0.781
DAR-DIA-9f765dc6-13
0.781
DAR-DIA-9f765dc6-14
0.781
EDJ-MED-015fb6b4-1
0.693
MAT-POS-83a7b0a0-1
0.608
EDJ-MED-b1cef252-1
0.608
MAT-POS-89bd6af1-4
0.608
MIC-UNK-54748b58-2
0.569
PET-UNK-7955f415-1
0.560
PET-UNK-7955f415-3
0.560
PET-UNK-9bf1291a-5
0.551
PET-UNK-4d432d33-3
0.545
PET-UNK-4d432d33-4
0.545
PET-UNK-4d432d33-7
0.545
PET-UNK-4d432d33-8
0.545
EDJ-MED-ce467fd5-3
0.544
LUO-POS-868e8996-6
0.541
MAT-POS-853c0ffa-2
0.541
ALP-POS-e266d783-1
0.541
EDJ-MED-43f8f7d6-5
0.541
LUO-POS-868e8996-5
0.541
PET-UNK-7955f415-2
0.536
PET-UNK-7955f415-4
0.536
PET-UNK-1abb40f2-2
0.523
PET-UNK-1abb40f2-4
0.523
PET-UNK-9bf1291a-3
0.519
PET-UNK-f360ae44-1
0.513
PET-UNK-f360ae44-6
0.513
PET-UNK-f360ae44-7
0.513
PET-UNK-f360ae44-8
0.513
PET-UNK-f360ae44-9
0.513
PET-UNK-f360ae44-14
0.513
PET-UNK-f360ae44-15
0.513
PET-UNK-f360ae44-16
0.513
DAR-DIA-9f765dc6-10
0.509
DAR-DIA-9f765dc6-11
0.509
DAR-DIA-9f765dc6-12
0.509
PET-UNK-f360ae44-3
0.508
PET-UNK-f360ae44-4
0.508
PET-UNK-f360ae44-5
0.508
PET-UNK-f360ae44-11
0.508
PET-UNK-f360ae44-12
0.508
PET-UNK-f360ae44-13
0.508
MAT-POS-c7771779-2
0.505
BEN-DND-a02b439d-12
0.505
MAT-POS-89e65850-1
0.505
MAT-POS-89e65850-2
0.505
PET-UNK-9bf1291a-1
0.505
ALP-POS-5290f14d-1
0.505
MIC-UNK-ea4eb352-2
0.505
PET-UNK-f360ae44-2
0.504
PET-UNK-f360ae44-10
0.504
PET-UNK-88d26eaf-1
0.500
EDJ-MED-cf877e1d-2
0.500
PET-UNK-5ad1c31a-3
0.496
PET-UNK-5ad1c31a-9
0.496
MAR-UCB-6ab2ec87-3
0.495
PET-UNK-022eab87-2
0.495
EDJ-MED-841e0cf0-1
0.491
MIC-UNK-ea4eb352-6
0.491
EDJ-MED-670ad2ee-1
0.491
PET-UNK-1abb40f2-1
0.491
PET-UNK-1abb40f2-3
0.491
ALP-POS-fe871b40-8
0.491
PET-UNK-757f8bc8-3
0.487
PET-UNK-9b23ef84-1
0.486
PET-UNK-c0891748-5
0.486
PET-UNK-c0891748-11
0.486
MAT-POS-f9802937-1
0.486
MAT-POS-78e1d523-4
0.486
EDJ-MED-d08626de-4
0.486
EDJ-MED-37aac4bd-1
0.486
EDJ-MED-d08626de-3
0.486
MAT-POS-78e1d523-3
0.486
EDJ-MED-d08626de-5
0.486
PET-UNK-9b23ef84-12
0.483
PET-UNK-5ad1c31a-4
0.483
PET-UNK-9b23ef84-4
0.483
PET-UNK-5ad1c31a-10
0.483
PET-UNK-757f8bc8-4
0.483
PET-UNK-9b23ef84-8
0.483
MIC-UNK-e8d6fb58-2
0.482
PET-UNK-81b485b5-1
0.482
PET-UNK-81b485b5-15
0.482
PET-UNK-757f8bc8-1
0.479
MAT-POS-d8472c4f-3
0.477
MAT-POS-89bd6af1-3
0.477
MAT-UNK-28cf4d29-1
0.477
PET-UNK-1b92fa34-5
0.477
MIC-UNK-ea4eb352-3
0.477
ALP-POS-e266d783-2
0.477
PET-UNK-6da3dcd8-8
0.475
EDJ-MED-b1cef252-2
0.475
MAT-POS-83a7b0a0-2
0.475
MAT-POS-89bd6af1-2
0.475
PET-UNK-ad758083-4
0.474
ALP-POS-fe871b40-3
0.473
ALP-POS-f1807566-3
0.473