Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(-c2ccc(Cl)cc2)cc1 |
MW: | 567.17 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 7.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-1
0.844
DAR-DIA-48c639f7-7
0.818
DAR-DIA-48c639f7-6
0.784
DAR-DIA-48c639f7-4
0.784
DAR-DIA-48c639f7-5
0.777
DAR-DIA-48c639f7-8
0.772
PAU-WEI-df8f33bc-2
0.765
ALP-POS-02c6a514-44
0.765
DAR-DIA-48c639f7-3
0.762
DAR-DIA-48c639f7-17
0.747
ALF-EVA-46063d6e-1
0.699
ALF-EVA-46063d6e-6
0.654
ALF-EVA-46063d6e-4
0.638
ALF-EVA-46063d6e-3
0.620
ALF-EVA-46063d6e-2
0.610
MIC-UNK-96659df2-3
0.596
MIC-UNK-9ffaa625-1
0.593
ALF-EVA-46063d6e-7
0.589
ALF-EVA-719172df-3
0.586
ALF-EVA-719172df-7
0.582
ALP-POS-d0876c20-1
0.580
MIC-UNK-96659df2-2
0.580
MIC-UNK-9ffaa625-2
0.578
ALF-EVA-719172df-6
0.575
CHE-UNK-ae827f53-1
0.574
MIC-UNK-96659df2-4
0.571
MIC-UNK-96659df2-1
0.570
ALF-EVA-719172df-2
0.562
ALF-EVA-719172df-1
0.561
ALP-POS-02c6a514-38
0.556
ALP-POS-b0bc6a46-23
0.556
DAR-DIA-48c639f7-15
0.554
ALP-POS-02c6a514-13
0.553
ALF-EVA-719172df-5
0.553
RYA-UNI-c3f66fb2-1
0.551
LON-WEI-2e27a2e5-1
0.550
DAR-DIA-48c639f7-9
0.550
MAT-POS-f2460aef-1
0.550
MAT-POS-f2460aef-2
0.550
ALP-POS-02c6a514-37
0.545
DAR-DIA-48c639f7-10
0.545
ALP-POS-b0bc6a46-22
0.545
MIC-UNK-8686cf1d-2
0.543
ALP-POS-02c6a514-39
0.541
ALP-POS-b0bc6a46-24
0.541
DAR-DIA-48c639f7-11
0.540
DAR-DIA-48c639f7-16
0.539
PAU-WEI-df8f33bc-1
0.538
ALP-POS-02c6a514-32
0.538
PET-UNK-48ab5cd7-5
0.526
DAR-DIA-48c639f7-12
0.526
DAR-DIA-48c639f7-18
0.526
MIC-UNK-7c90192e-1
0.521
MAT-POS-02ae579f-1
0.519
PET-UNK-48ab5cd7-6
0.517
MIC-UNK-7c90192e-2
0.517
ALP-POS-b0bc6a46-5
0.513
ALP-POS-02c6a514-5
0.513
DAR-DIA-2b784ede-54
0.512
MAT-POS-c0143b99-1
0.504
ALP-POS-02c6a514-18
0.504
ALP-POS-b0bc6a46-11
0.504
PAU-WEI-ca14c437-1
0.500
ALP-POS-02c6a514-19
0.500
DAR-DIA-48c639f7-14
0.496
ALP-POS-02c6a514-29
0.496
ALP-POS-b0bc6a46-18
0.496
MIC-UNK-8686cf1d-6
0.496
ALP-POS-02c6a514-27
0.492
ALP-POS-b0bc6a46-16
0.492
ALP-POS-b0bc6a46-6
0.492
ALP-POS-02c6a514-7
0.492
DAR-DIA-48c639f7-13
0.488
ALP-POS-1245c3fa-1
0.487
ROB-UNI-269bf23d-1
0.487
ALF-EVA-719172df-4
0.483
RYA-UNI-f4a878f6-1
0.482
KHR-WEI-75c61062-1
0.481
ALP-POS-a2344586-1
0.479
PAU-WEI-d9f77348-1
0.479
ALP-POS-b0bc6a46-25
0.479
ALP-POS-02c6a514-41
0.479
ALP-POS-b0bc6a46-12
0.479
ALP-POS-02c6a514-20
0.479
MIC-UNK-8686cf1d-9
0.478
ALP-POS-02c6a514-9
0.475
KHR-WEI-75c61062-2
0.472
ALP-POS-02c6a514-28
0.468
ALP-POS-b0bc6a46-17
0.468
ALP-POS-02c6a514-48
0.463
BRU-THA-92256091-24
0.462
ALP-POS-02c6a514-34
0.460
ALP-POS-780445ae-3
0.460
ALP-POS-ced8ea4d-27
0.458
ALP-POS-02c6a514-2
0.456
ALP-POS-b0bc6a46-2
0.456
PET-UNK-48ab5cd7-4
0.454
ALP-POS-b0bc6a46-8
0.450
ALP-POS-02c6a514-14
0.450
ALP-POS-02c6a514-21
0.450