Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cncc3scnc23)cc1 |
MW: | 556.19 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 6.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
MIC-UNK-7c90192e-1
0.694
ALF-EVA-719172df-7
0.679
PAU-WEI-df8f33bc-2
0.670
ALP-POS-02c6a514-44
0.670
ALF-EVA-46063d6e-2
0.663
ALP-POS-02c6a514-13
0.661
PAU-WEI-df8f33bc-1
0.643
ALP-POS-02c6a514-32
0.643
MIC-UNK-9ffaa625-1
0.628
CHE-UNK-ae827f53-1
0.623
ALP-POS-02c6a514-19
0.618
MAT-POS-f2460aef-2
0.617
MAT-POS-f2460aef-1
0.617
LON-WEI-2e27a2e5-1
0.617
MAT-POS-02ae579f-1
0.615
MIC-UNK-9ffaa625-2
0.612
ALP-POS-a2344586-1
0.591
ALP-POS-02c6a514-48
0.560
ALP-POS-02c6a514-9
0.560
ALF-EVA-46063d6e-4
0.558
ALP-POS-02c6a514-34
0.555
ALF-EVA-46063d6e-3
0.543
ALF-EVA-46063d6e-1
0.543
ALP-POS-02c6a514-31
0.538
ALF-EVA-46063d6e-6
0.534
DAR-DIA-48c639f7-7
0.533
ALF-EVA-719172df-4
0.530
ALF-EVA-719172df-3
0.525
PET-UNK-48ab5cd7-6
0.525
DAR-DIA-48c639f7-8
0.525
DAR-DIA-48c639f7-1
0.521
DAR-DIA-48c639f7-5
0.520
ALF-EVA-719172df-1
0.517
DAR-DIA-48c639f7-2
0.517
ALF-EVA-46063d6e-7
0.513
DAR-DIA-48c639f7-4
0.512
DAR-DIA-48c639f7-6
0.512
ALP-POS-02c6a514-12
0.509
ALP-POS-95f71980-23
0.508
ALF-EVA-719172df-5
0.508
ALP-POS-d0876c20-1
0.508
ALF-EVA-719172df-2
0.504
ALP-POS-305f6ec3-3
0.504
ALP-POS-d0876c20-19
0.504
ALF-EVA-719172df-6
0.500
MIC-UNK-96659df2-2
0.500
CHE-UNK-ae827f53-2
0.500
MIC-UNK-96659df2-3
0.500
DAR-DIA-48c639f7-17
0.500
ALP-POS-95f71980-29
0.496
ALP-POS-95f71980-4
0.496
ALP-POS-305f6ec3-49
0.496
ALP-POS-02c6a514-38
0.496
ALP-POS-b0bc6a46-23
0.496
MIC-UNK-96659df2-4
0.492
ALP-POS-305f6ec3-41
0.492
DAR-DIA-48c639f7-9
0.491
ALP-POS-95f71980-21
0.491
DAR-DIA-48c639f7-3
0.488
ALP-POS-02c6a514-18
0.488
ALP-POS-b0bc6a46-11
0.488
ALP-POS-b0bc6a46-12
0.487
MAT-POS-f2460aef-4
0.487
ALP-POS-02c6a514-49
0.487
ALP-POS-02c6a514-20
0.487
DAR-DIA-48c639f7-10
0.487
ALP-POS-d0876c20-17
0.487
ALP-POS-02c6a514-37
0.487
ALP-POS-b0bc6a46-22
0.487
LON-WEI-babf2c61-2
0.487
ALP-POS-d0876c20-20
0.484
ALP-POS-d0876c20-11
0.484
DAR-DIA-48c639f7-15
0.483
DAR-DIA-48c639f7-11
0.483
ALP-POS-b0bc6a46-24
0.483
ALP-POS-02c6a514-39
0.483
LON-WEI-babf2c61-4
0.483
ALP-POS-305f6ec3-4
0.480
ALP-POS-d0876c20-7
0.480
PET-UNK-48ab5cd7-3
0.479
LON-WEI-2e27a2e5-2
0.478
ALP-POS-d0876c20-21
0.475
ALP-POS-02c6a514-46
0.475
PET-UNK-48ab5cd7-4
0.475
ALP-POS-02c6a514-50
0.475
ALP-POS-95f71980-25
0.475
LON-WEI-babf2c61-1
0.475
ALP-POS-95f71980-2
0.475
ALP-POS-95f71980-17
0.475
ALP-POS-02c6a514-11
0.474
ALP-POS-d0876c20-18
0.472
ALP-POS-305f6ec3-19
0.472
ALP-POS-305f6ec3-56
0.471
ALP-POS-95f71980-6
0.471
PET-UNK-48ab5cd7-5
0.471
ALP-POS-d0876c20-5
0.471
MIC-UNK-96659df2-1
0.470
ALP-POS-305f6ec3-23
0.468
ALP-POS-305f6ec3-44
0.467
ALP-POS-d0876c20-14
0.467