Molecular Properties | |
SMILES: | CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 392.18 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.33 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-88a7a97e-14
0.824
ALP-POS-88a7a97e-18
0.813
ALP-POS-88a7a97e-35
0.803
ALP-POS-88a7a97e-7
0.803
ALP-POS-88a7a97e-22
0.772
ALP-POS-88a7a97e-12
0.772
ALP-POS-88a7a97e-2
0.772
ALP-POS-88a7a97e-10
0.772
ALP-POS-88a7a97e-33
0.772
ALP-POS-88a7a97e-45
0.762
ALP-POS-88a7a97e-16
0.762
ALP-POS-88a7a97e-31
0.753
ALP-POS-88a7a97e-34
0.753
ALP-POS-88a7a97e-4
0.744
ALP-POS-88a7a97e-29
0.744
ALP-POS-88a7a97e-28
0.744
ALP-POS-88a7a97e-38
0.744
ALP-POS-88a7a97e-32
0.744
ALP-POS-88a7a97e-46
0.744
ALP-POS-88a7a97e-3
0.744
ALP-POS-88a7a97e-5
0.735
ALP-POS-88a7a97e-8
0.726
ALP-POS-88a7a97e-48
0.721
ALP-POS-88a7a97e-17
0.718
ALP-POS-88a7a97e-39
0.718
ALP-POS-88a7a97e-19
0.718
ALP-POS-88a7a97e-41
0.713
ALP-POS-88a7a97e-9
0.709
ALP-POS-88a7a97e-13
0.709
ALP-POS-88a7a97e-42
0.705
ALP-POS-88a7a97e-11
0.701
ALP-POS-88a7a97e-30
0.701
ALP-POS-42f3de95-2
0.693
ALP-POS-88a7a97e-26
0.693
ALP-POS-88a7a97e-15
0.693
ALP-POS-88a7a97e-21
0.685
ALP-POS-88a7a97e-27
0.685
ALP-POS-88a7a97e-36
0.685
ALP-POS-42f3de95-1
0.685
ALP-POS-88a7a97e-47
0.678
ALP-POS-02c6a514-50
0.678
ALP-POS-88a7a97e-43
0.670
ALP-POS-88a7a97e-44
0.663
ALP-POS-88a7a97e-6
0.656
ALP-POS-88a7a97e-49
0.642
ALP-POS-88a7a97e-20
0.626
ALP-POS-88a7a97e-25
0.622
ALP-POS-88a7a97e-24
0.598
ALP-POS-88a7a97e-23
0.598
ALP-POS-88a7a97e-40
0.598
ALP-POS-88a7a97e-37
0.598
LON-WEI-adc59df6-3
0.595
ALP-POS-95f71980-36
0.576
ALP-POS-42f3de95-3
0.554
ALP-POS-ced8ea4d-27
0.546
ALP-POS-c59291d4-6
0.540
ALP-POS-ced8ea4d-9
0.535
ALP-POS-84f19ead-3
0.535
ALP-POS-ced8ea4d-19
0.530
LON-WEI-adc59df6-30
0.529
ALP-POS-ced8ea4d-16
0.529
BRU-THA-40a53a3c-1
0.526
ALP-POS-ced8ea4d-28
0.526
ALP-POS-d0876c20-17
0.526
ALP-POS-ced8ea4d-67
0.525
ALP-POS-d0876c20-5
0.520
ALP-POS-ced8ea4d-11
0.520
ALP-POS-ced8ea4d-5
0.520
ALP-POS-ced8ea4d-52
0.520
ALP-POS-02c6a514-53
0.516
ALP-POS-02c6a514-54
0.516
ALP-POS-02c6a514-56
0.516
ALP-POS-ced8ea4d-12
0.515
ALP-POS-ced8ea4d-51
0.515
ALP-POS-84f19ead-2
0.511
ALP-POS-95f71980-37
0.510
ALP-POS-ced8ea4d-62
0.510
ALP-POS-02c6a514-57
0.505
ALP-POS-84f19ead-4
0.500
ALP-POS-ced8ea4d-17
0.500
PET-UNK-48ab5cd7-3
0.500
ALP-POS-95f71980-3
0.500
ALP-POS-95f71980-10
0.495
ALP-POS-ced8ea4d-37
0.495
MAT-POS-f2460aef-3
0.495
LON-WEI-adc59df6-10
0.495
LON-WEI-adc59df6-17
0.495
ALP-POS-95f71980-35
0.491
ALP-POS-95f71980-4
0.490
ALP-POS-84f19ead-1
0.489
LON-WEI-adc59df6-29
0.489
LON-WEI-adc59df6-31
0.489
LON-WEI-8f408cad-8
0.488
RAL-MED-9a5eb9cb-10
0.488
ALP-POS-305f6ec3-12
0.486
ALP-POS-305f6ec3-46
0.485
ALP-POS-d0876c20-14
0.485
LON-WEI-adc59df6-7
0.485
ALP-POS-0c0a3b93-1
0.484
LON-WEI-adc59df6-27
0.484