Molecular Properties | |
SMILES: | Cc1ccncc1[C@@H](C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 |
MW: | 513.24 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 6.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
PAU-WEI-df8f33bc-2
1.000
ALF-EVA-46063d6e-4
0.835
ALF-EVA-46063d6e-3
0.809
ALF-EVA-46063d6e-2
0.802
ALF-EVA-46063d6e-6
0.792
ALF-EVA-46063d6e-1
0.789
ALF-EVA-46063d6e-7
0.774
DAR-DIA-48c639f7-1
0.773
MIC-UNK-9ffaa625-1
0.768
DAR-DIA-48c639f7-2
0.765
ALF-EVA-719172df-3
0.763
DAR-DIA-48c639f7-8
0.758
DAR-DIA-48c639f7-7
0.750
DAR-DIA-48c639f7-17
0.750
MIC-UNK-9ffaa625-2
0.745
CHE-UNK-ae827f53-1
0.743
ALF-EVA-719172df-7
0.742
ALP-POS-d0876c20-1
0.737
DAR-DIA-48c639f7-4
0.735
DAR-DIA-48c639f7-6
0.735
ALF-EVA-719172df-2
0.735
ALF-EVA-719172df-1
0.730
DAR-DIA-48c639f7-5
0.728
DAR-DIA-48c639f7-9
0.726
LON-WEI-2e27a2e5-1
0.726
MAT-POS-f2460aef-2
0.726
MAT-POS-f2460aef-1
0.726
ALF-EVA-719172df-5
0.720
ALP-POS-02c6a514-13
0.720
DAR-DIA-48c639f7-10
0.719
DAR-DIA-48c639f7-3
0.714
DAR-DIA-48c639f7-11
0.707
DAR-DIA-48c639f7-15
0.707
MIC-UNK-96659df2-3
0.702
DAR-DIA-48c639f7-16
0.686
PAU-WEI-df8f33bc-1
0.683
ALP-POS-02c6a514-32
0.683
MIC-UNK-96659df2-2
0.679
MAT-POS-02ae579f-1
0.674
MIC-UNK-7c90192e-1
0.673
DAR-DIA-48c639f7-12
0.670
DAR-DIA-48c639f7-18
0.670
MIC-UNK-7c90192e-2
0.670
MIC-UNK-96659df2-4
0.670
ALP-POS-02c6a514-19
0.657
MIC-UNK-96659df2-1
0.652
ROB-UNI-269bf23d-1
0.646
ALF-EVA-719172df-4
0.635
DAR-DIA-48c639f7-14
0.627
ALP-POS-a2344586-1
0.626
DAR-DIA-48c639f7-13
0.616
PET-UNK-48ab5cd7-6
0.613
ALP-POS-02c6a514-9
0.607
ALP-POS-02c6a514-34
0.600
ALF-EVA-46063d6e-5
0.598
ALP-POS-02c6a514-48
0.593
ALF-EVA-719172df-6
0.588
ALP-POS-b0bc6a46-23
0.583
ALP-POS-02c6a514-38
0.583
ALP-POS-02c6a514-31
0.582
ALP-POS-305f6ec3-49
0.581
ALP-POS-02c6a514-12
0.581
ALP-POS-95f71980-21
0.577
ALP-POS-305f6ec3-44
0.575
ALP-POS-02c6a514-37
0.571
ALP-POS-b0bc6a46-22
0.571
ALP-POS-02c6a514-39
0.566
ALP-POS-b0bc6a46-24
0.566
ALP-POS-95f71980-4
0.566
LON-WEI-2e27a2e5-2
0.563
ALP-POS-02c6a514-26
0.562
DAR-DIA-2b784ede-54
0.561
ALP-POS-02c6a514-11
0.558
MAT-POS-f2460aef-4
0.556
ALP-POS-02c6a514-20
0.556
ALP-POS-b0bc6a46-12
0.556
ALP-POS-b0bc6a46-11
0.555
ALP-POS-02c6a514-18
0.555
ALP-POS-02c6a514-52
0.551
PET-UNK-48ab5cd7-5
0.550
ALP-POS-95f71980-23
0.550
ALP-POS-95f71980-6
0.550
ALP-POS-305f6ec3-46
0.546
PET-UNK-48ab5cd7-3
0.546
PAU-WEI-5b8d5051-1
0.543
LON-POS-586a7c45-1
0.543
LON-WEI-adc59df6-47
0.543
CHE-UNK-ae827f53-2
0.543
ALP-POS-95f71980-17
0.542
ALP-POS-95f71980-2
0.542
ALP-POS-02c6a514-50
0.541
ALP-POS-95f71980-25
0.541
ALP-POS-02c6a514-49
0.541
PET-UNK-48ab5cd7-4
0.541
ALP-POS-305f6ec3-59
0.537
ALP-POS-02c6a514-33
0.536
ALP-POS-95f71980-29
0.536
ALP-POS-02c6a514-40
0.536
ALP-POS-305f6ec3-19
0.536
ALP-POS-b0bc6a46-5
0.536