Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NCCc2cccc(F)c2)c2cncc3ccccc23)cc1 |
MW: | 549.24 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 7.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
PAU-WEI-df8f33bc-1
1.000
MIC-UNK-7c90192e-1
0.691
PAU-WEI-df8f33bc-2
0.683
ALP-POS-02c6a514-44
0.683
ALF-EVA-46063d6e-2
0.676
ALP-POS-02c6a514-19
0.676
ALF-EVA-719172df-7
0.676
ALP-POS-02c6a514-13
0.673
MAT-POS-02ae579f-1
0.660
MIC-UNK-9ffaa625-1
0.655
ALP-POS-a2344586-1
0.645
MIC-UNK-7c90192e-2
0.643
MIC-UNK-9ffaa625-2
0.637
CHE-UNK-ae827f53-1
0.634
LON-WEI-2e27a2e5-1
0.629
MAT-POS-f2460aef-1
0.629
MAT-POS-f2460aef-2
0.629
ALP-POS-02c6a514-9
0.627
ALP-POS-02c6a514-48
0.613
ALP-POS-02c6a514-31
0.602
ALP-POS-02c6a514-34
0.578
DAR-DIA-48c639f7-1
0.570
ALF-EVA-46063d6e-4
0.568
ALF-EVA-46063d6e-3
0.566
ALF-EVA-46063d6e-6
0.557
ALF-EVA-719172df-4
0.539
ALF-EVA-46063d6e-1
0.539
DAR-DIA-48c639f7-2
0.538
PET-UNK-48ab5cd7-6
0.534
ALF-EVA-719172df-3
0.534
DAR-DIA-48c639f7-8
0.534
DAR-DIA-48c639f7-7
0.529
ALF-EVA-46063d6e-7
0.522
DAR-DIA-48c639f7-4
0.521
DAR-DIA-48c639f7-6
0.521
ALP-POS-02c6a514-38
0.518
ALP-POS-b0bc6a46-23
0.518
DAR-DIA-48c639f7-5
0.516
ALF-EVA-719172df-6
0.509
CHE-UNK-ae827f53-2
0.509
ALP-POS-02c6a514-11
0.509
ALP-POS-b0bc6a46-22
0.509
ALP-POS-02c6a514-37
0.509
ALP-POS-d0876c20-17
0.509
DAR-DIA-48c639f7-17
0.509
DAR-DIA-48c639f7-3
0.508
ALP-POS-02c6a514-12
0.504
ALP-POS-305f6ec3-49
0.504
ALP-POS-95f71980-4
0.504
ALP-POS-d0876c20-1
0.504
LON-WEI-2e27a2e5-2
0.500
DAR-DIA-48c639f7-9
0.500
ALP-POS-95f71980-21
0.500
PET-UNK-48ab5cd7-3
0.500
ALF-EVA-719172df-2
0.500
ALF-EVA-719172df-1
0.500
MIC-UNK-96659df2-2
0.496
MIC-UNK-96659df2-3
0.496
ALP-POS-95f71980-25
0.496
DAR-DIA-48c639f7-10
0.496
ALP-POS-780445ae-2
0.492
ALF-EVA-719172df-5
0.492
ALP-POS-02c6a514-33
0.492
DAR-DIA-48c639f7-11
0.492
ALP-POS-95f71980-23
0.492
DAR-DIA-48c639f7-15
0.492
ALP-POS-02c6a514-39
0.491
ALP-POS-b0bc6a46-24
0.491
LON-WEI-babf2c61-4
0.491
MIC-UNK-96659df2-4
0.488
ALP-POS-a2344586-2
0.488
ALP-POS-d9b6304e-1
0.488
ALP-POS-d0876c20-19
0.488
ALP-POS-02c6a514-26
0.487
LON-WEI-adc59df6-52
0.486
ALP-POS-b0bc6a46-11
0.483
ALP-POS-02c6a514-18
0.483
ALP-POS-b0bc6a46-12
0.483
ALP-POS-02c6a514-20
0.483
ALP-POS-02c6a514-25
0.483
ALP-POS-02c6a514-50
0.483
MAT-POS-f2460aef-4
0.483
MAT-POS-f2460aef-5
0.483
ALP-POS-95f71980-17
0.483
LON-WEI-babf2c61-2
0.482
ALP-POS-a2344586-3
0.480
ALP-POS-d0876c20-18
0.480
ALP-POS-02c6a514-5
0.479
ALP-POS-b0bc6a46-5
0.479
ALP-POS-02c6a514-40
0.479
ALP-POS-d0876c20-11
0.479
ALP-POS-305f6ec3-19
0.479
PET-UNK-48ab5cd7-5
0.479
ALP-POS-95f71980-6
0.479
ALP-POS-95f71980-29
0.479
ALP-POS-d0876c20-5
0.479
MIC-UNK-96659df2-1
0.477
ALP-POS-305f6ec3-4
0.475
ALP-POS-305f6ec3-46
0.475
ALP-POS-305f6ec3-44
0.475