Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 |
MW: | 525.1 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 6.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
ALF-EVA-46063d6e-1
0.753
ALP-POS-02c6a514-44
0.750
PAU-WEI-df8f33bc-2
0.750
DAR-DIA-48c639f7-2
0.747
DAR-DIA-48c639f7-7
0.733
DAR-DIA-48c639f7-1
0.720
DAR-DIA-48c639f7-4
0.718
DAR-DIA-48c639f7-6
0.718
DAR-DIA-48c639f7-3
0.714
DAR-DIA-48c639f7-5
0.712
DAR-DIA-48c639f7-8
0.706
ALF-EVA-46063d6e-6
0.654
ALF-EVA-46063d6e-4
0.621
MIC-UNK-96659df2-3
0.609
ALF-EVA-46063d6e-3
0.604
ALF-EVA-46063d6e-2
0.592
MIC-UNK-96659df2-2
0.591
ALF-EVA-719172df-3
0.583
MIC-UNK-96659df2-4
0.583
DAR-DIA-48c639f7-9
0.577
MIC-UNK-9ffaa625-1
0.577
ALF-EVA-719172df-6
0.573
ALF-EVA-46063d6e-7
0.571
DAR-DIA-48c639f7-10
0.571
MIC-UNK-96659df2-1
0.568
DAR-DIA-48c639f7-11
0.565
ALF-EVA-719172df-7
0.565
ALP-POS-d0876c20-1
0.564
MIC-UNK-9ffaa625-2
0.561
ALF-EVA-719172df-2
0.560
CHE-UNK-ae827f53-1
0.558
ALP-POS-b0bc6a46-22
0.557
ALP-POS-02c6a514-37
0.557
MIC-UNK-8686cf1d-2
0.554
ALP-POS-02c6a514-38
0.552
ALP-POS-b0bc6a46-23
0.552
DAR-DIA-48c639f7-15
0.550
ALP-POS-02c6a514-13
0.550
ALF-EVA-719172df-5
0.550
MAT-POS-f2460aef-2
0.547
MAT-POS-f2460aef-1
0.547
LON-WEI-2e27a2e5-1
0.547
ALF-EVA-719172df-1
0.545
MIC-UNK-8686cf1d-6
0.544
ALP-POS-b0bc6a46-11
0.541
ALP-POS-02c6a514-18
0.541
ALP-POS-b0bc6a46-24
0.537
ALP-POS-02c6a514-39
0.537
DAR-DIA-48c639f7-16
0.536
ALP-POS-b0bc6a46-6
0.527
ALP-POS-02c6a514-7
0.527
PAU-WEI-ca14c437-1
0.523
PET-UNK-48ab5cd7-5
0.523
DAR-DIA-48c639f7-12
0.522
DAR-DIA-48c639f7-18
0.522
ALP-POS-b0bc6a46-18
0.517
ALP-POS-02c6a514-29
0.517
MAT-POS-c0143b99-1
0.514
ALP-POS-02c6a514-20
0.514
ALP-POS-b0bc6a46-12
0.514
PAU-WEI-d9f77348-1
0.513
PET-UNK-48ab5cd7-6
0.513
KHR-WEI-75c61062-2
0.510
ALP-POS-b0bc6a46-5
0.509
ALP-POS-02c6a514-5
0.509
PAU-WEI-df8f33bc-1
0.509
ALP-POS-02c6a514-32
0.509
KHR-WEI-75c61062-1
0.505
RYA-UNI-f4a878f6-1
0.505
MIC-UNK-7c90192e-1
0.504
MAT-POS-02ae579f-1
0.500
ALP-POS-b0bc6a46-25
0.500
ALP-POS-02c6a514-41
0.500
MIC-UNK-7c90192e-2
0.500
DAR-DIA-2b784ede-54
0.496
DAR-DIA-48c639f7-14
0.492
RYA-UNI-c3f66fb2-1
0.491
MIC-UNK-8686cf1d-9
0.486
DAR-DIA-48c639f7-13
0.484
ALP-POS-b0bc6a46-8
0.482
ALP-POS-02c6a514-19
0.482
ALP-POS-02c6a514-14
0.482
ALP-POS-b0bc6a46-13
0.480
ALP-POS-02c6a514-21
0.480
ALP-POS-780445ae-3
0.479
ALP-POS-b0bc6a46-14
0.477
ALP-POS-02c6a514-23
0.477
PET-UNK-48ab5cd7-4
0.474
ROB-UNI-269bf23d-1
0.468
ALF-EVA-719172df-4
0.466
ALP-POS-b0bc6a46-27
0.465
ALP-POS-02c6a514-43
0.465
ALP-POS-b0bc6a46-2
0.464
ALP-POS-02c6a514-2
0.464
ALP-POS-02c6a514-3
0.463
ALP-POS-b0bc6a46-3
0.463
ALP-POS-a2344586-1
0.462
ALP-POS-02c6a514-9
0.458
ALP-POS-02c6a514-48
0.458
ALP-POS-02c6a514-34
0.455