Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1CC1CCCCC1 |
MW: | 609.34 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 75.44 |
cLogP: | 8.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-96659df2-3
0.780
MIC-UNK-96659df2-5
0.770
MIC-UNK-96659df2-2
0.739
MIC-UNK-96659df2-4
0.730
ALP-POS-02c6a514-44
0.652
PAU-WEI-df8f33bc-2
0.652
ALF-EVA-46063d6e-1
0.598
MIC-UNK-96659df2-7
0.587
DAR-DIA-48c639f7-2
0.570
DAR-DIA-48c639f7-17
0.568
DAR-DIA-48c639f7-1
0.562
MIC-UNK-9ffaa625-1
0.561
MIC-UNK-9ffaa625-2
0.560
MIC-UNK-96659df2-6
0.559
ALF-EVA-46063d6e-3
0.558
MIC-UNK-96659df2-8
0.551
DAR-DIA-2b784ede-54
0.548
ALF-EVA-46063d6e-4
0.546
DAR-DIA-48c639f7-8
0.540
DAR-DIA-48c639f7-3
0.539
DAR-DIA-48c639f7-15
0.537
DAR-DIA-48c639f7-7
0.536
DAR-DIA-48c639f7-5
0.535
DAR-DIA-48c639f7-9
0.534
ALF-EVA-46063d6e-7
0.529
DAR-DIA-48c639f7-10
0.529
ALF-EVA-719172df-3
0.528
DAR-DIA-48c639f7-6
0.528
DAR-DIA-48c639f7-4
0.528
DAR-DIA-48c639f7-11
0.525
DAR-DIA-48c639f7-12
0.524
ALF-EVA-46063d6e-6
0.524
ALF-EVA-46063d6e-2
0.521
CHE-UNK-ae827f53-1
0.520
DAR-DIA-48c639f7-16
0.512
ALP-POS-d0876c20-1
0.512
DAR-DIA-48c639f7-18
0.512
DAR-DIA-48c639f7-13
0.511
ALF-EVA-719172df-2
0.508
DAR-DIA-48c639f7-14
0.508
ALF-EVA-719172df-5
0.500
ALF-EVA-719172df-7
0.500
ALF-EVA-719172df-1
0.496
LON-WEI-2e27a2e5-1
0.496
MAT-POS-f2460aef-1
0.496
MAT-POS-f2460aef-2
0.496
ALP-POS-02c6a514-13
0.488
PAU-WEI-df8f33bc-1
0.477
ALP-POS-02c6a514-32
0.477
MIC-UNK-7c90192e-1
0.474
MIC-UNK-7c90192e-2
0.470
ALP-POS-b0bc6a46-25
0.469
ALP-POS-02c6a514-41
0.469
PET-UNK-48ab5cd7-4
0.468
ALP-POS-b0bc6a46-12
0.468
ALP-POS-02c6a514-20
0.468
ALP-POS-02c6a514-19
0.465
PET-UNK-48ab5cd7-6
0.457
MAT-POS-02ae579f-1
0.455
ALP-POS-b0bc6a46-5
0.454
ALP-POS-02c6a514-5
0.454
ALP-POS-780445ae-3
0.451
ALP-POS-b0bc6a46-11
0.446
ALP-POS-02c6a514-18
0.446
ALP-POS-02c6a514-14
0.442
ALP-POS-b0bc6a46-8
0.442
ROB-UNI-269bf23d-1
0.440
ALF-EVA-719172df-4
0.438
ALP-POS-a2344586-1
0.436
MAT-POS-c0143b99-1
0.433
ALF-EVA-719172df-6
0.432
ALP-POS-02c6a514-9
0.432
PET-UNK-48ab5cd7-5
0.431
ALP-POS-b0bc6a46-14
0.431
ALP-POS-02c6a514-23
0.431
ALP-POS-02c6a514-38
0.429
ALP-POS-b0bc6a46-23
0.429
ALP-POS-02c6a514-31
0.425
KHR-WEI-75c61062-2
0.425
ALP-POS-02c6a514-37
0.422
ALP-POS-b0bc6a46-22
0.422
KHR-WEI-75c61062-1
0.421
ALP-POS-02c6a514-48
0.421
ALP-POS-02c6a514-34
0.419
ALP-POS-95f71980-4
0.419
ALP-POS-02c6a514-39
0.419
ALP-POS-b0bc6a46-24
0.419
ALP-POS-b0bc6a46-17
0.417
ALP-POS-02c6a514-28
0.417
MIC-UNK-8686cf1d-8
0.414
PAU-WEI-d9f77348-1
0.414
ALP-POS-b0bc6a46-6
0.414
ALP-POS-02c6a514-7
0.414
ALP-POS-02c6a514-2
0.413
ALP-POS-b0bc6a46-2
0.413
ALP-POS-b0bc6a46-10
0.412
ALP-POS-02c6a514-16
0.412
ALP-POS-02c6a514-21
0.411
ALP-POS-b0bc6a46-13
0.411
ALP-POS-02c6a514-17
0.410