Molecular Properties | |
SMILES: | Cc1coc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NCCc2cccc(F)c2)c2cnccc2C)n1 |
MW: | 528.25 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 5.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
PAU-WEI-df8f33bc-2
0.763
ALP-POS-02c6a514-44
0.763
ALP-POS-d0876c20-1
0.733
ALF-EVA-719172df-2
0.713
DAR-DIA-48c639f7-9
0.704
ALF-EVA-719172df-5
0.699
DAR-DIA-48c639f7-10
0.697
ALF-EVA-719172df-1
0.692
DAR-DIA-48c639f7-15
0.670
DAR-DIA-48c639f7-11
0.670
DAR-DIA-48c639f7-16
0.667
DAR-DIA-48c639f7-18
0.651
DAR-DIA-48c639f7-12
0.651
ALF-EVA-46063d6e-4
0.635
ALF-EVA-46063d6e-1
0.632
ALF-EVA-46063d6e-2
0.621
ALF-EVA-46063d6e-3
0.617
DAR-DIA-48c639f7-14
0.611
ALF-EVA-46063d6e-6
0.606
DAR-DIA-48c639f7-13
0.600
CHE-UNK-ae827f53-1
0.598
DAR-DIA-48c639f7-1
0.591
MIC-UNK-9ffaa625-1
0.589
ALF-EVA-719172df-4
0.587
DAR-DIA-48c639f7-2
0.586
ALF-EVA-46063d6e-7
0.585
DAR-DIA-48c639f7-17
0.583
DAR-DIA-48c639f7-8
0.580
ALP-POS-02c6a514-12
0.579
DAR-DIA-48c639f7-7
0.575
MIC-UNK-9ffaa625-2
0.574
MIC-UNK-96659df2-3
0.565
DAR-DIA-48c639f7-4
0.565
DAR-DIA-48c639f7-6
0.565
ALF-EVA-719172df-7
0.564
LON-WEI-2e27a2e5-1
0.561
MAT-POS-f2460aef-2
0.561
MAT-POS-f2460aef-1
0.561
DAR-DIA-48c639f7-5
0.560
ALP-POS-305f6ec3-44
0.560
DAR-DIA-48c639f7-3
0.551
ALP-POS-305f6ec3-49
0.550
MIC-UNK-96659df2-2
0.550
ALP-POS-02c6a514-13
0.549
LON-WEI-2e27a2e5-2
0.547
ALP-POS-02c6a514-26
0.546
ALP-POS-95f71980-21
0.546
ALP-POS-02c6a514-11
0.542
MIC-UNK-96659df2-4
0.542
ALP-POS-02c6a514-50
0.541
ALP-POS-95f71980-4
0.536
ALP-POS-02c6a514-52
0.536
ALP-POS-d0876c20-5
0.536
PAU-WEI-df8f33bc-1
0.534
ALP-POS-02c6a514-32
0.534
ALP-POS-305f6ec3-46
0.532
ALP-POS-305f6ec3-27
0.532
PET-UNK-48ab5cd7-3
0.532
MIC-UNK-7c90192e-1
0.529
MIC-UNK-96659df2-1
0.528
ALP-POS-95f71980-2
0.527
ALP-POS-95f71980-17
0.527
ALP-POS-02c6a514-49
0.527
MAT-POS-f2460aef-4
0.527
ALP-POS-95f71980-25
0.527
ALP-POS-305f6ec3-6
0.527
ALP-POS-d0876c20-21
0.527
MIC-UNK-7c90192e-2
0.525
JOE-NOR-4e4adc6b-1
0.523
ALP-POS-305f6ec3-59
0.523
ALP-POS-95f71980-23
0.522
ALP-POS-95f71980-29
0.522
ALP-POS-95f71980-6
0.522
ALP-POS-305f6ec3-19
0.522
ALP-POS-95f71980-11
0.521
DAR-DIA-2b784ede-54
0.521
PET-UNK-7d68125a-4
0.518
ALP-POS-02c6a514-22
0.518
ALP-POS-305f6ec3-41
0.518
PET-UNK-48ab5cd7-2
0.518
ALP-POS-305f6ec3-52
0.518
ALP-POS-d0876c20-19
0.517
ALP-POS-780445ae-3
0.517
ALP-POS-305f6ec3-8
0.516
MAT-POS-02ae579f-1
0.514
LON-WEI-adc59df6-47
0.514
PAU-WEI-5b8d5051-2
0.514
PAU-WEI-5b8d5051-1
0.514
LON-POS-586a7c45-1
0.514
ALP-POS-d0876c20-17
0.514
ALP-POS-95f71980-7
0.513
ALP-POS-95f71980-24
0.513
PET-UNK-48ab5cd7-1
0.513
MAT-POS-f2460aef-3
0.513
ALP-POS-305f6ec3-55
0.513
ALP-POS-02c6a514-46
0.513
ALP-POS-305f6ec3-14
0.513
MAT-POS-f2460aef-5
0.513
ALP-POS-02c6a514-6
0.513
ALP-POS-02c6a514-25
0.513