Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cnccc2C2CCC2)cc1 |
MW: | 553.27 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 7.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-9ffaa625-1
0.947
PAU-WEI-df8f33bc-2
0.745
ALP-POS-02c6a514-44
0.745
CHE-UNK-ae827f53-1
0.676
ALF-EVA-46063d6e-2
0.673
ALF-EVA-719172df-7
0.673
ALP-POS-02c6a514-13
0.655
LON-WEI-2e27a2e5-1
0.642
MAT-POS-f2460aef-2
0.642
MAT-POS-f2460aef-1
0.642
PAU-WEI-df8f33bc-1
0.637
ALP-POS-02c6a514-32
0.637
MIC-UNK-7c90192e-1
0.629
ALF-EVA-46063d6e-4
0.624
ALP-POS-02c6a514-19
0.613
MIC-UNK-7c90192e-2
0.612
MAT-POS-02ae579f-1
0.610
ALF-EVA-719172df-4
0.607
ALF-EVA-46063d6e-3
0.607
ALF-EVA-46063d6e-6
0.596
ALF-EVA-46063d6e-1
0.593
DAR-DIA-48c639f7-1
0.583
ALF-EVA-719172df-2
0.579
DAR-DIA-48c639f7-2
0.578
ALF-EVA-46063d6e-7
0.577
ALF-EVA-719172df-3
0.574
ALP-POS-a2344586-1
0.573
DAR-DIA-48c639f7-8
0.573
DAR-DIA-48c639f7-6
0.571
DAR-DIA-48c639f7-7
0.568
ALP-POS-02c6a514-34
0.563
DAR-DIA-48c639f7-17
0.561
MIC-UNK-96659df2-1
0.560
MIC-UNK-96659df2-3
0.558
DAR-DIA-48c639f7-4
0.558
DAR-DIA-48c639f7-3
0.557
DAR-DIA-48c639f7-15
0.557
DAR-DIA-48c639f7-11
0.557
ALP-POS-d0876c20-1
0.556
ALP-POS-b0bc6a46-5
0.556
ALP-POS-02c6a514-5
0.556
ALP-POS-02c6a514-9
0.556
DAR-DIA-48c639f7-5
0.554
DAR-DIA-48c639f7-9
0.554
ALF-EVA-719172df-1
0.551
DAR-DIA-48c639f7-10
0.549
PET-UNK-48ab5cd7-6
0.547
ALF-EVA-719172df-5
0.542
ALP-POS-02c6a514-48
0.542
ALP-POS-02c6a514-31
0.533
MIC-UNK-96659df2-2
0.532
ALP-POS-305f6ec3-49
0.530
DAR-DIA-48c639f7-16
0.529
DAR-DIA-48c639f7-18
0.529
DAR-DIA-48c639f7-12
0.529
ALP-POS-95f71980-21
0.526
DAR-DIA-48c639f7-14
0.524
MIC-UNK-96659df2-4
0.524
ALF-EVA-719172df-6
0.522
CHE-UNK-ae827f53-2
0.522
ALP-POS-02c6a514-38
0.518
ALP-POS-b0bc6a46-23
0.518
ALP-POS-02c6a514-12
0.517
ALP-POS-95f71980-4
0.517
DAR-DIA-48c639f7-13
0.516
ALP-POS-02c6a514-37
0.509
ALP-POS-b0bc6a46-22
0.509
ALP-POS-02c6a514-39
0.504
ALP-POS-b0bc6a46-24
0.504
ALP-POS-95f71980-6
0.504
PET-UNK-48ab5cd7-5
0.504
ALP-POS-02c6a514-17
0.504
ALP-POS-305f6ec3-7
0.504
ALP-POS-02c6a514-26
0.500
ALP-POS-305f6ec3-44
0.500
LON-WEI-2e27a2e5-2
0.500
ALP-POS-02c6a514-18
0.496
ALP-POS-b0bc6a46-11
0.496
MAT-POS-f2460aef-4
0.496
ALP-POS-95f71980-2
0.496
LON-WEI-adc59df6-47
0.496
PAU-WEI-5b8d5051-1
0.496
ALP-POS-02c6a514-11
0.496
LON-POS-586a7c45-1
0.496
ALP-POS-02c6a514-51
0.492
ALP-POS-95f71980-23
0.492
ROB-UNI-269bf23d-1
0.491
ALP-POS-305f6ec3-38
0.488
ALP-POS-305f6ec3-46
0.487
PET-UNK-48ab5cd7-3
0.487
ALP-POS-02c6a514-22
0.487
MIC-UNK-96659df2-5
0.485
ALP-POS-305f6ec3-5
0.484
ALP-POS-02c6a514-50
0.483
ALP-POS-b0bc6a46-12
0.483
ALP-POS-02c6a514-20
0.483
ALP-POS-95f71980-25
0.483
PET-UNK-48ab5cd7-4
0.483
ALP-POS-d0876c20-21
0.483
ALP-POS-d0876c20-17
0.483