Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cncc3cccnc23)cc1 |
MW: | 550.24 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 6.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
MIC-UNK-7c90192e-2
0.694
PAU-WEI-df8f33bc-1
0.691
ALP-POS-02c6a514-32
0.691
ALP-POS-02c6a514-44
0.673
PAU-WEI-df8f33bc-2
0.673
ALF-EVA-719172df-7
0.667
ALF-EVA-46063d6e-2
0.651
ALP-POS-02c6a514-13
0.649
MAT-POS-f2460aef-2
0.636
LON-WEI-2e27a2e5-1
0.636
MAT-POS-f2460aef-1
0.636
MIC-UNK-9ffaa625-1
0.632
MIC-UNK-9ffaa625-2
0.629
CHE-UNK-ae827f53-1
0.626
ALP-POS-02c6a514-19
0.607
MAT-POS-02ae579f-1
0.604
ALP-POS-a2344586-1
0.568
ALF-EVA-46063d6e-4
0.561
ALF-EVA-46063d6e-1
0.547
ALF-EVA-46063d6e-3
0.547
ALF-EVA-719172df-4
0.547
ALP-POS-02c6a514-34
0.545
PET-UNK-48ab5cd7-6
0.542
ALP-POS-02c6a514-9
0.538
ALF-EVA-46063d6e-6
0.538
ALP-POS-02c6a514-48
0.538
ALF-EVA-719172df-3
0.529
ALP-POS-02c6a514-31
0.529
ALP-POS-02c6a514-12
0.526
DAR-DIA-48c639f7-1
0.525
DAR-DIA-48c639f7-7
0.525
ALP-POS-95f71980-21
0.522
DAR-DIA-48c639f7-2
0.521
ALF-EVA-719172df-6
0.518
ALP-POS-02c6a514-37
0.517
ALP-POS-b0bc6a46-22
0.517
ALF-EVA-46063d6e-7
0.517
ALP-POS-02c6a514-18
0.517
ALP-POS-b0bc6a46-11
0.517
DAR-DIA-48c639f7-8
0.516
DAR-DIA-48c639f7-6
0.516
ALP-POS-02c6a514-38
0.513
ALP-POS-b0bc6a46-23
0.513
ALP-POS-305f6ec3-49
0.513
ALP-POS-d0876c20-1
0.512
DAR-DIA-48c639f7-5
0.512
DAR-DIA-48c639f7-9
0.509
PET-UNK-48ab5cd7-3
0.508
ALF-EVA-719172df-2
0.508
ALF-EVA-719172df-1
0.508
ALP-POS-d0876c20-19
0.508
DAR-DIA-48c639f7-17
0.504
DAR-DIA-48c639f7-4
0.504
ALF-EVA-719172df-5
0.500
ALP-POS-95f71980-4
0.500
ALP-POS-02c6a514-39
0.500
ALP-POS-95f71980-23
0.500
ALP-POS-b0bc6a46-24
0.500
ALP-POS-305f6ec3-19
0.500
PET-UNK-48ab5cd7-2
0.496
LON-WEI-2e27a2e5-2
0.496
DAR-DIA-48c639f7-3
0.492
MIC-UNK-96659df2-3
0.492
PET-UNK-48ab5cd7-4
0.492
ALP-POS-b0bc6a46-12
0.492
ALP-POS-02c6a514-20
0.492
ALP-POS-02c6a514-50
0.492
ALP-POS-305f6ec3-6
0.492
ALP-POS-95f71980-25
0.492
MAT-POS-f2460aef-4
0.492
DAR-DIA-48c639f7-10
0.492
CHE-UNK-ae827f53-2
0.491
ALP-POS-02c6a514-11
0.491
ALP-POS-02c6a514-5
0.488
ALP-POS-b0bc6a46-5
0.488
ALP-POS-d0876c20-11
0.488
DAR-DIA-48c639f7-11
0.488
PET-UNK-48ab5cd7-5
0.488
ALP-POS-95f71980-6
0.488
PAU-WEI-ca14c437-1
0.488
DAR-DIA-48c639f7-15
0.488
ALP-POS-305f6ec3-4
0.484
ALP-POS-305f6ec3-44
0.483
ALP-POS-02c6a514-22
0.483
ALP-POS-305f6ec3-27
0.483
ALP-POS-02c6a514-26
0.483
MIC-UNK-96659df2-2
0.481
ALP-POS-305f6ec3-57
0.480
ALP-POS-02c6a514-46
0.479
ALP-POS-02c6a514-49
0.479
ALP-POS-95f71980-7
0.479
ALP-POS-305f6ec3-55
0.479
MAT-POS-f2460aef-3
0.479
ALP-POS-d0876c20-21
0.479
ALP-POS-d0876c20-17
0.479
ALP-POS-95f71980-2
0.479
ALP-POS-95f71980-17
0.479
PAU-WEI-5b8d5051-1
0.479
LON-POS-586a7c45-1
0.479
LON-WEI-adc59df6-47
0.479