Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)nc1 |
MW: | 500.22 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 5.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
0.726
LON-WEI-2e27a2e5-1
0.726
MAT-POS-f2460aef-2
0.726
ALP-POS-02c6a514-20
0.697
ALP-POS-b0bc6a46-12
0.697
ALP-POS-95f71980-31
0.673
PET-UNK-48ab5cd7-6
0.660
ALF-EVA-719172df-6
0.653
MIC-UNK-96659df2-7
0.651
ALP-POS-02c6a514-38
0.646
ALP-POS-b0bc6a46-23
0.646
ALP-POS-b0bc6a46-22
0.634
ALP-POS-02c6a514-37
0.634
ALP-POS-02c6a514-39
0.627
ALP-POS-b0bc6a46-24
0.627
PET-UNK-48ab5cd7-5
0.625
MIC-UNK-96659df2-8
0.622
KHR-WEI-75c61062-2
0.621
MIC-UNK-96659df2-6
0.616
KHR-WEI-75c61062-1
0.615
ALP-POS-b0bc6a46-11
0.613
ALP-POS-02c6a514-18
0.613
ALP-POS-02c6a514-12
0.612
PAU-WEI-ca14c437-1
0.610
ALP-POS-b0bc6a46-8
0.610
ALP-POS-02c6a514-14
0.610
MIC-UNK-96659df2-5
0.605
ALP-POS-02c6a514-7
0.598
ALP-POS-b0bc6a46-25
0.598
ALP-POS-02c6a514-41
0.598
PAU-WEI-d9f77348-1
0.598
ALP-POS-b0bc6a46-6
0.598
ALP-POS-305f6ec3-49
0.596
ALP-POS-02c6a514-5
0.593
ALP-POS-b0bc6a46-5
0.593
ALP-POS-95f71980-21
0.592
PAU-WEI-5b8d5051-1
0.588
LON-POS-586a7c45-1
0.588
LON-WEI-adc59df6-47
0.588
ALP-POS-95f71980-20
0.587
LON-WEI-babf2c61-10
0.587
ALP-POS-b0bc6a46-18
0.586
ALP-POS-02c6a514-29
0.586
ALP-POS-02c6a514-50
0.585
MIC-UNK-8686cf1d-2
0.582
ALP-POS-95f71980-4
0.581
ALP-POS-b0bc6a46-3
0.580
ALP-POS-02c6a514-3
0.580
RYA-UNI-f4a878f6-1
0.580
ALP-POS-b0bc6a46-2
0.578
LON-WEI-2e27a2e5-2
0.578
ALP-POS-02c6a514-2
0.578
ALP-POS-95f71980-16
0.578
ALP-POS-305f6ec3-44
0.575
PET-UNK-48ab5cd7-3
0.575
PAU-WEI-5b8d5051-2
0.573
ALP-POS-02c6a514-11
0.573
MIC-UNK-8686cf1d-9
0.571
ALP-POS-95f71980-2
0.571
MIC-UNK-8686cf1d-6
0.571
ALP-POS-95f71980-41
0.571
MAT-POS-f2460aef-4
0.570
ALP-POS-305f6ec3-55
0.570
ALP-POS-02c6a514-49
0.570
ALP-POS-95f71980-39
0.568
JOE-NOR-4e4adc6b-1
0.566
ALP-POS-95f71980-23
0.565
ALP-POS-95f71980-6
0.565
ALP-POS-305f6ec3-19
0.564
RYA-UNI-c3f66fb2-1
0.563
ALP-POS-95f71980-12
0.562
PET-UNK-7d68125a-4
0.562
ALP-POS-02c6a514-26
0.562
PET-UNK-7d68125a-1
0.561
ALP-POS-02c6a514-22
0.561
ALP-POS-305f6ec3-27
0.561
PET-UNK-48ab5cd7-2
0.561
ALP-UNI-fe744232-18
0.560
ALP-POS-95f71980-36
0.559
ALP-POS-95f71980-1
0.559
ALP-POS-305f6ec3-4
0.559
PET-UNK-7d68125a-2
0.557
PET-UNK-7d68125a-3
0.557
ALP-POS-95f71980-17
0.557
MAT-POS-f2460aef-3
0.556
ALP-POS-02c6a514-46
0.556
ALP-POS-95f71980-25
0.556
ALP-POS-95f71980-9
0.556
ALP-POS-b0bc6a46-7
0.555
ALP-POS-02c6a514-8
0.555
LON-WEI-babf2c61-9
0.552
ALP-POS-02c6a514-28
0.552
ALP-POS-b0bc6a46-17
0.552
ALP-POS-02c6a514-52
0.551
ALP-POS-305f6ec3-59
0.551
ALP-POS-95f71980-29
0.550
ALP-POS-305f6ec3-56
0.550
ALP-POS-02c6a514-17
0.550
ALP-POS-02c6a514-51
0.550
ALP-POS-95f71980-18
0.550