Molecular Properties | |
SMILES: | CCC(C)NC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 434.23 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-88a7a97e-7
0.833
ALP-POS-88a7a97e-14
0.785
ALP-POS-88a7a97e-22
0.780
ALP-POS-88a7a97e-1
0.772
ALP-POS-88a7a97e-35
0.765
ALP-POS-88a7a97e-5
0.765
ALP-POS-88a7a97e-18
0.753
ALP-POS-88a7a97e-16
0.750
ALP-POS-88a7a97e-10
0.738
ALP-POS-88a7a97e-33
0.738
ALP-POS-88a7a97e-46
0.733
ALP-POS-88a7a97e-31
0.721
ALP-POS-88a7a97e-12
0.718
ALP-POS-88a7a97e-38
0.713
ALP-POS-88a7a97e-32
0.713
ALP-POS-88a7a97e-3
0.713
ALP-POS-88a7a97e-4
0.713
ALP-POS-88a7a97e-29
0.713
ALP-POS-88a7a97e-45
0.709
ALP-POS-88a7a97e-34
0.701
ALP-POS-88a7a97e-8
0.697
ALP-POS-88a7a97e-28
0.693
ALP-POS-88a7a97e-11
0.692
ALP-POS-88a7a97e-17
0.689
ALP-POS-88a7a97e-39
0.689
ALP-POS-88a7a97e-19
0.689
ALP-POS-88a7a97e-13
0.681
ALP-POS-88a7a97e-48
0.674
ALP-POS-88a7a97e-47
0.670
ALP-POS-88a7a97e-26
0.667
ALP-POS-42f3de95-2
0.667
ALP-POS-88a7a97e-9
0.663
ALP-POS-88a7a97e-27
0.660
ALP-POS-88a7a97e-42
0.660
ALP-POS-42f3de95-1
0.660
ALP-POS-88a7a97e-44
0.656
ALP-POS-88a7a97e-30
0.656
ALP-POS-02c6a514-50
0.653
ALP-POS-88a7a97e-41
0.649
ALP-POS-88a7a97e-15
0.649
LON-WEI-adc59df6-31
0.647
ALP-POS-88a7a97e-21
0.642
ALP-POS-88a7a97e-36
0.642
ALP-POS-88a7a97e-43
0.629
ALP-POS-88a7a97e-49
0.620
ALP-POS-88a7a97e-6
0.616
ALP-POS-88a7a97e-25
0.602
ALP-POS-88a7a97e-20
0.590
ALP-POS-88a7a97e-24
0.565
ALP-POS-88a7a97e-23
0.565
ALP-POS-88a7a97e-40
0.565
ALP-POS-88a7a97e-37
0.565
ALP-POS-95f71980-36
0.558
ALP-POS-42f3de95-3
0.538
ALP-POS-02c6a514-54
0.532
ALP-POS-ced8ea4d-27
0.529
ALP-POS-ced8ea4d-67
0.524
ALP-POS-ced8ea4d-9
0.519
ALP-POS-ced8ea4d-5
0.519
ALP-POS-ced8ea4d-19
0.514
ALP-POS-ced8ea4d-12
0.514
ALP-POS-ced8ea4d-16
0.514
LON-WEI-adc59df6-30
0.511
ALP-POS-ced8ea4d-28
0.510
ALP-POS-d0876c20-17
0.510
ALP-POS-95f71980-10
0.509
LON-WEI-adc59df6-29
0.505
ALP-POS-c59291d4-6
0.505
ALP-POS-d0876c20-5
0.505
ALP-POS-ced8ea4d-52
0.505
ALP-POS-ced8ea4d-11
0.505
ALP-POS-84f19ead-3
0.500
ALP-POS-02c6a514-53
0.500
ALP-POS-ced8ea4d-51
0.500
LON-WEI-adc59df6-21
0.500
ALP-POS-95f71980-37
0.495
ALP-POS-ced8ea4d-62
0.495
ALP-POS-ced8ea4d-37
0.495
BRU-THA-40a53a3c-1
0.495
ALP-POS-84f19ead-2
0.495
LON-WEI-adc59df6-10
0.495
LON-WEI-adc59df6-17
0.495
ALP-POS-02c6a514-57
0.490
ALP-POS-ced8ea4d-17
0.487
ALP-POS-95f71980-3
0.486
ALP-POS-305f6ec3-12
0.486
ALP-POS-95f71980-14
0.486
MAT-POS-f2460aef-3
0.481
ALP-POS-95f71980-28
0.478
ALP-POS-95f71980-35
0.478
ALP-POS-305f6ec3-50
0.477
ALP-POS-02c6a514-55
0.476
ALP-POS-95f71980-4
0.476
ALP-POS-84f19ead-1
0.475
ALP-POS-95f71980-38
0.475
ALP-POS-780445ae-1
0.472
ALP-POS-305f6ec3-46
0.472
PET-UNK-48ab5cd7-3
0.472
ALP-POS-d0876c20-14
0.472
ALP-POS-0c0a3b93-1
0.470