Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(-c2ccc(Cl)s2)cc1 |
MW: | 573.13 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 7.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-8
0.848
DAR-DIA-48c639f7-7
0.840
DAR-DIA-48c639f7-2
0.784
DAR-DIA-48c639f7-1
0.757
DAR-DIA-48c639f7-6
0.755
DAR-DIA-48c639f7-5
0.748
PAU-WEI-df8f33bc-2
0.735
ALP-POS-02c6a514-44
0.735
DAR-DIA-48c639f7-3
0.734
DAR-DIA-48c639f7-17
0.718
ALF-EVA-46063d6e-1
0.673
ALF-EVA-46063d6e-6
0.631
ALF-EVA-46063d6e-4
0.615
ALF-EVA-46063d6e-3
0.598
ALF-EVA-46063d6e-2
0.587
MIC-UNK-96659df2-2
0.574
MIC-UNK-9ffaa625-1
0.573
ALF-EVA-46063d6e-7
0.568
ALF-EVA-719172df-3
0.565
MIC-UNK-96659df2-3
0.563
ALF-EVA-719172df-7
0.561
ALP-POS-d0876c20-1
0.560
MIC-UNK-9ffaa625-2
0.558
CHE-UNK-ae827f53-1
0.555
ALF-EVA-719172df-6
0.555
ALF-EVA-719172df-2
0.543
ALF-EVA-719172df-1
0.542
MIC-UNK-96659df2-4
0.540
ALP-POS-b0bc6a46-23
0.536
ALP-POS-02c6a514-38
0.536
DAR-DIA-48c639f7-11
0.534
DAR-DIA-48c639f7-15
0.534
ALF-EVA-719172df-5
0.534
ALP-POS-02c6a514-13
0.534
MAT-POS-f2460aef-1
0.531
DAR-DIA-48c639f7-9
0.531
LON-WEI-2e27a2e5-1
0.531
MAT-POS-f2460aef-2
0.531
MIC-UNK-96659df2-1
0.528
DAR-DIA-48c639f7-10
0.526
ALP-POS-02c6a514-37
0.526
ALP-POS-b0bc6a46-22
0.526
ALP-POS-b0bc6a46-24
0.522
ALP-POS-02c6a514-39
0.522
DAR-DIA-48c639f7-16
0.521
DAR-DIA-48c639f7-18
0.521
PAU-WEI-df8f33bc-1
0.521
ALP-POS-02c6a514-32
0.521
MIC-UNK-8686cf1d-2
0.512
MIC-UNK-7c90192e-2
0.512
PET-UNK-48ab5cd7-5
0.508
DAR-DIA-48c639f7-12
0.508
ALP-POS-02c6a514-5
0.508
ALP-POS-b0bc6a46-5
0.508
MIC-UNK-7c90192e-1
0.504
ALP-POS-b0bc6a46-12
0.500
MAT-POS-02ae579f-1
0.500
PET-UNK-48ab5cd7-6
0.500
ALP-POS-02c6a514-20
0.500
MIC-UNK-8686cf1d-6
0.492
ALP-POS-02c6a514-18
0.488
ALP-POS-b0bc6a46-11
0.488
PAU-WEI-ca14c437-1
0.483
ALP-POS-02c6a514-19
0.483
DAR-DIA-48c639f7-14
0.480
ALP-POS-02c6a514-29
0.480
ALP-POS-b0bc6a46-18
0.480
RYA-UNI-c3f66fb2-1
0.478
ALP-POS-b0bc6a46-16
0.477
ALP-POS-02c6a514-27
0.477
ALP-POS-02c6a514-7
0.475
ALP-POS-b0bc6a46-6
0.475
MAT-POS-c0143b99-1
0.475
DAR-DIA-48c639f7-13
0.473
DAR-DIA-2b784ede-54
0.472
ALP-POS-02c6a514-9
0.472
ROB-UNI-269bf23d-1
0.470
ALF-EVA-719172df-4
0.467
KHR-WEI-75c61062-1
0.464
ALP-POS-a2344586-1
0.464
PAU-WEI-d9f77348-1
0.463
MIC-UNK-8686cf1d-9
0.462
ALP-POS-780445ae-3
0.457
KHR-WEI-75c61062-2
0.455
ALP-POS-ced8ea4d-27
0.455
ALP-POS-b0bc6a46-3
0.453
ALP-POS-02c6a514-3
0.453
RYA-UNI-f4a878f6-1
0.452
ALP-POS-b0bc6a46-25
0.452
ALP-POS-02c6a514-41
0.452
PET-UNK-48ab5cd7-4
0.451
ALP-POS-02c6a514-48
0.448
ALP-POS-b0bc6a46-13
0.447
ALP-POS-02c6a514-21
0.447
ALP-POS-02c6a514-34
0.445
ALP-POS-e980f4ea-27
0.442
ALP-POS-02c6a514-31
0.441
ALP-POS-b0bc6a46-2
0.441
ALP-POS-02c6a514-2
0.441
ALP-POS-b0bc6a46-8
0.435