Molecular Properties | |
SMILES: | CNC(=O)NCc1cc(C(C)(C)C)ccc1N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 585.28 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 116.57 |
cLogP: | 5.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-96659df2-6
0.838
MIC-UNK-96659df2-7
0.781
MIC-UNK-96659df2-4
0.764
MIC-UNK-96659df2-5
0.726
MAT-POS-f2460aef-1
0.660
LON-WEI-2e27a2e5-1
0.660
MAT-POS-f2460aef-2
0.660
MIC-UNK-96659df2-2
0.639
PET-UNK-48ab5cd7-4
0.622
ALP-POS-02c6a514-20
0.607
ALP-POS-b0bc6a46-12
0.607
ALP-POS-02c6a514-41
0.605
PET-UNK-48ab5cd7-6
0.605
ALP-POS-b0bc6a46-25
0.605
ALP-POS-b0bc6a46-8
0.602
ALP-POS-02c6a514-14
0.602
MIC-UNK-96659df2-3
0.588
ALF-EVA-719172df-6
0.582
ALP-POS-02c6a514-38
0.577
ALP-POS-b0bc6a46-23
0.577
ALP-POS-b0bc6a46-22
0.566
ALP-POS-02c6a514-37
0.566
PAU-WEI-d9f77348-1
0.564
ALP-POS-b0bc6a46-11
0.564
ALP-POS-02c6a514-18
0.564
ALP-POS-b0bc6a46-24
0.561
ALP-POS-02c6a514-39
0.561
ALP-POS-b0bc6a46-17
0.561
ALP-POS-02c6a514-28
0.561
PAU-WEI-ca14c437-1
0.560
PET-UNK-48ab5cd7-5
0.560
PAU-WEI-5b8d5051-1
0.554
LON-POS-586a7c45-1
0.554
LON-WEI-adc59df6-47
0.554
KHR-WEI-75c61062-2
0.551
MIC-UNK-96659df2-1
0.551
ALP-POS-95f71980-4
0.548
ALP-POS-02c6a514-12
0.548
ALP-POS-305f6ec3-49
0.548
KHR-WEI-75c61062-1
0.546
ALP-POS-02c6a514-5
0.546
ALP-POS-b0bc6a46-5
0.546
LON-WEI-2e27a2e5-2
0.545
ALP-POS-95f71980-21
0.544
ALP-POS-02c6a514-29
0.541
ALP-POS-b0bc6a46-18
0.541
PAU-WEI-5b8d5051-2
0.540
ALP-POS-02c6a514-11
0.540
LON-WEI-babf2c61-10
0.539
ALP-POS-b0bc6a46-6
0.538
ALP-POS-02c6a514-7
0.538
ALP-POS-02c6a514-2
0.531
ALP-POS-b0bc6a46-2
0.531
ALP-POS-02c6a514-26
0.530
PET-UNK-7d68125a-1
0.530
MIC-UNK-8686cf1d-6
0.528
PET-UNK-7d68125a-3
0.526
PET-UNK-7d68125a-2
0.526
ALP-POS-95f71980-17
0.526
ALP-POS-95f71980-24
0.525
MAT-POS-f2460aef-4
0.525
MIC-UNK-8686cf1d-2
0.525
ALP-POS-b0bc6a46-3
0.524
ALP-POS-02c6a514-3
0.524
LON-WEI-babf2c61-9
0.522
ALP-POS-02c6a514-33
0.521
ALP-POS-95f71980-6
0.521
ALP-POS-305f6ec3-19
0.521
ALP-POS-95f71980-18
0.521
PET-UNK-7d68125a-4
0.517
ALP-POS-305f6ec3-44
0.517
ALP-POS-305f6ec3-27
0.517
ALP-POS-305f6ec3-41
0.517
PET-UNK-48ab5cd7-3
0.517
ALP-POS-305f6ec3-3
0.517
ALP-POS-b0bc6a46-13
0.516
ALP-POS-02c6a514-21
0.516
ALP-POS-95f71980-2
0.513
ALP-POS-95f71980-22
0.513
ALP-POS-95f71980-25
0.513
ALP-POS-02c6a514-25
0.513
ALP-POS-02c6a514-50
0.513
ALP-POS-95f71980-7
0.513
ALP-POS-305f6ec3-48
0.513
ALP-POS-305f6ec3-55
0.513
MAT-POS-f2460aef-5
0.513
PET-UNK-48ab5cd7-1
0.513
ALP-POS-305f6ec3-14
0.513
JOE-NOR-4e4adc6b-1
0.508
ALP-POS-02c6a514-52
0.508
ALP-POS-305f6ec3-59
0.508
ALP-POS-95f71980-23
0.508
ALP-POS-95f71980-29
0.508
RYA-UNI-f4a878f6-1
0.504
RYA-UNI-c3f66fb2-1
0.504
ALP-POS-02c6a514-22
0.504
ALP-POS-305f6ec3-46
0.504
PET-UNK-48ab5cd7-2
0.504
ALP-POS-305f6ec3-52
0.504
ALP-POS-305f6ec3-4
0.504