Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cnc3ncnn3c2O)cc1 |
MW: | 557.22 |
Fraction sp3: | 0.24 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 138.75 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-d0876c20-1
0.685
ALP-POS-d0876c20-17
0.683
ALP-POS-d0876c20-19
0.676
ALP-POS-d0876c20-11
0.670
ALP-POS-d0876c20-7
0.649
ALP-POS-02c6a514-50
0.648
ALP-POS-d0876c20-21
0.648
ALP-POS-d0876c20-5
0.645
ALP-POS-d0876c20-9
0.643
ALP-POS-d0876c20-14
0.639
ALP-POS-d0876c20-20
0.637
ALP-POS-d0876c20-10
0.627
ALP-POS-d0876c20-16
0.616
ALP-POS-d9b6304e-1
0.615
ALP-POS-a2344586-2
0.615
ALP-UNI-fe744232-18
0.607
ALP-POS-d0876c20-12
0.603
ALP-POS-d0876c20-2
0.600
ALP-POS-d0876c20-3
0.596
ALP-POS-d0876c20-15
0.591
ALP-POS-d0876c20-13
0.590
ALP-POS-d0876c20-24
0.590
ALP-POS-d0876c20-4
0.587
ALP-POS-d0876c20-8
0.581
ALP-POS-95f71980-36
0.578
ALP-POS-d0876c20-23
0.567
ALP-POS-ced8ea4d-27
0.553
ALF-EVA-719172df-2
0.552
ALP-POS-95f71980-37
0.546
ALP-POS-d0876c20-6
0.543
ALP-POS-ced8ea4d-9
0.543
ALP-POS-ced8ea4d-16
0.537
ALP-POS-d0876c20-22
0.534
ALP-POS-ced8ea4d-67
0.534
ALF-EVA-719172df-7
0.530
ALP-POS-ced8ea4d-19
0.525
ALP-UNI-fe744232-9
0.525
ALP-POS-ced8ea4d-28
0.522
ALP-UNI-fe744232-3
0.521
ALP-POS-95f71980-31
0.521
ALP-UNI-fe744232-14
0.517
ALP-POS-ced8ea4d-52
0.517
ALP-POS-ced8ea4d-5
0.517
ALP-POS-ced8ea4d-11
0.517
ALP-UNI-fe744232-15
0.516
ALP-POS-305f6ec3-46
0.513
ALP-POS-ced8ea4d-51
0.512
ALP-POS-ced8ea4d-12
0.512
ALF-EVA-719172df-1
0.512
ALP-UNI-fe744232-17
0.512
ALP-POS-ced8ea4d-17
0.512
ALP-POS-ced8ea4d-37
0.508
ALP-UNI-fe744232-12
0.508
ALP-POS-ced8ea4d-62
0.508
ALP-POS-95f71980-10
0.508
ALP-POS-ced8ea4d-49
0.504
ALP-UNI-fe744232-22
0.504
ALP-UNI-fe744232-30
0.504
ALP-UNI-fe744232-19
0.500
ALP-POS-95f71980-20
0.500
ALP-POS-95f71980-3
0.500
ALF-EVA-46063d6e-2
0.500
ALP-UNI-fe744232-1
0.500
ALF-EVA-719172df-3
0.496
ALP-POS-02c6a514-44
0.496
MAT-POS-f2460aef-3
0.496
PAU-WEI-df8f33bc-2
0.496
ALP-POS-95f71980-25
0.496
ALP-POS-ced8ea4d-32
0.492
ALP-POS-95f71980-35
0.492
ALP-UNI-fe744232-11
0.492
ALP-POS-95f71980-12
0.492
ALP-POS-ced8ea4d-39
0.492
ALP-POS-95f71980-4
0.492
ALP-POS-ced8ea4d-63
0.488
ALP-POS-305f6ec3-12
0.488
ALP-POS-95f71980-14
0.488
ALF-EVA-719172df-4
0.488
PET-UNK-48ab5cd7-3
0.487
DAR-DIA-48c639f7-9
0.487
ALP-POS-ced8ea4d-8
0.484
ALP-UNI-fe744232-25
0.484
ALP-POS-95f71980-33
0.484
ALP-POS-95f71980-5
0.484
ALP-POS-95f71980-39
0.484
ALP-POS-305f6ec3-33
0.484
ALP-POS-305f6ec3-48
0.483
DAR-DIA-48c639f7-10
0.483
ALP-POS-95f71980-17
0.483
ALP-POS-95f71980-34
0.481
ALP-POS-95f71980-27
0.481
ALP-POS-95f71980-28
0.481
ALP-POS-ced8ea4d-50
0.481
ALP-UNI-fe744232-13
0.481
ALP-POS-95f71980-11
0.480
ALP-POS-a2344586-3
0.480
PAU-WEI-df8f33bc-1
0.480
ALP-POS-02c6a514-32
0.480
ALP-POS-95f71980-16
0.480
ALP-POS-02c6a514-13
0.480