Molecular Properties | |
SMILES: | Cc1cnncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 |
MW: | 514.24 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 5.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
PAU-WEI-df8f33bc-2
0.802
ALP-POS-02c6a514-44
0.802
ALF-EVA-719172df-7
0.737
ALP-POS-02c6a514-13
0.714
MAT-POS-02ae579f-1
0.703
MAT-POS-f2460aef-2
0.702
MAT-POS-f2460aef-1
0.702
LON-WEI-2e27a2e5-1
0.702
MIC-UNK-9ffaa625-1
0.693
ALP-POS-02c6a514-19
0.684
PAU-WEI-df8f33bc-1
0.676
ALP-POS-02c6a514-32
0.676
MIC-UNK-9ffaa625-2
0.673
CHE-UNK-ae827f53-1
0.670
MIC-UNK-7c90192e-2
0.663
ALF-EVA-46063d6e-4
0.663
MIC-UNK-7c90192e-1
0.651
ALP-POS-a2344586-1
0.650
ALF-EVA-46063d6e-3
0.644
ALP-POS-02c6a514-34
0.638
ALF-EVA-46063d6e-6
0.631
ALF-EVA-46063d6e-1
0.627
ALF-EVA-719172df-3
0.621
ALP-POS-02c6a514-9
0.615
ALP-POS-02c6a514-48
0.615
DAR-DIA-48c639f7-1
0.615
ALF-EVA-46063d6e-7
0.610
DAR-DIA-48c639f7-2
0.610
ALP-POS-02c6a514-31
0.604
DAR-DIA-48c639f7-8
0.604
DAR-DIA-48c639f7-7
0.598
DAR-DIA-48c639f7-17
0.592
PET-UNK-48ab5cd7-6
0.590
DAR-DIA-48c639f7-4
0.587
DAR-DIA-48c639f7-6
0.587
ALP-POS-d0876c20-1
0.585
DAR-DIA-48c639f7-5
0.582
ALF-EVA-719172df-2
0.581
CHE-UNK-ae827f53-2
0.580
ALF-EVA-719172df-1
0.579
ALP-POS-02c6a514-12
0.573
DAR-DIA-48c639f7-3
0.571
ALF-EVA-719172df-5
0.570
DAR-DIA-48c639f7-9
0.569
ALF-EVA-719172df-4
0.566
ALF-EVA-719172df-6
0.564
DAR-DIA-48c639f7-10
0.563
ALP-POS-b0bc6a46-23
0.559
ALP-POS-02c6a514-38
0.559
MIC-UNK-96659df2-3
0.559
ALP-POS-305f6ec3-49
0.558
ALP-POS-d0876c20-5
0.558
DAR-DIA-48c639f7-11
0.557
DAR-DIA-48c639f7-15
0.557
ALP-POS-95f71980-21
0.553
ALP-POS-305f6ec3-44
0.552
ALP-POS-02c6a514-37
0.548
ALP-POS-b0bc6a46-22
0.548
MIC-UNK-96659df2-2
0.543
ALP-POS-b0bc6a46-24
0.543
ALP-POS-02c6a514-39
0.543
ALP-POS-95f71980-4
0.543
DAR-DIA-48c639f7-12
0.541
DAR-DIA-48c639f7-16
0.541
LON-WEI-2e27a2e5-2
0.539
MIC-UNK-96659df2-4
0.534
ALP-POS-02c6a514-11
0.534
ALP-POS-02c6a514-20
0.533
ALP-POS-b0bc6a46-12
0.533
ALP-POS-02c6a514-49
0.533
MAT-POS-f2460aef-4
0.533
ALP-POS-b0bc6a46-11
0.532
ALP-POS-02c6a514-18
0.532
PET-UNK-48ab5cd7-5
0.528
ALP-POS-95f71980-6
0.528
ALP-POS-95f71980-29
0.528
ALP-POS-02c6a514-5
0.527
ALP-POS-b0bc6a46-5
0.527
ALP-POS-d0876c20-11
0.527
DAR-DIA-48c639f7-18
0.527
ALP-POS-02c6a514-26
0.524
ALP-POS-305f6ec3-27
0.523
ALP-POS-305f6ec3-46
0.523
PET-UNK-48ab5cd7-2
0.523
PET-UNK-48ab5cd7-3
0.523
MIC-UNK-96659df2-1
0.521
LON-WEI-adc59df6-47
0.519
LON-WEI-babf2c61-2
0.519
LON-POS-586a7c45-1
0.519
PAU-WEI-5b8d5051-1
0.519
ALP-POS-95f71980-2
0.519
ALP-POS-95f71980-17
0.519
ALP-POS-d0876c20-17
0.519
ALP-POS-02c6a514-50
0.519
PET-UNK-48ab5cd7-1
0.519
PET-UNK-48ab5cd7-4
0.519
ALP-POS-95f71980-25
0.519
ROB-UNI-269bf23d-1
0.514
ALP-POS-02c6a514-52
0.514
ALP-POS-305f6ec3-59
0.514