Molecular Properties | |
SMILES: | CCC(=O)NCc1cc(C(C)(C)C)ccc1N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 584.28 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 104.54 |
cLogP: | 5.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-96659df2-8
0.838
MIC-UNK-96659df2-7
0.774
MIC-UNK-96659df2-2
0.766
MIC-UNK-96659df2-5
0.735
MAT-POS-f2460aef-1
0.670
MAT-POS-f2460aef-2
0.670
LON-WEI-2e27a2e5-1
0.670
MIC-UNK-96659df2-4
0.639
PET-UNK-48ab5cd7-4
0.616
PET-UNK-48ab5cd7-6
0.614
ALP-POS-02c6a514-20
0.602
ALP-POS-b0bc6a46-12
0.602
ALP-POS-02c6a514-41
0.600
ALP-POS-b0bc6a46-25
0.600
ALP-POS-02c6a514-14
0.596
ALP-POS-b0bc6a46-8
0.596
ALF-EVA-719172df-6
0.591
ALP-POS-b0bc6a46-23
0.586
ALP-POS-02c6a514-38
0.586
MIC-UNK-96659df2-3
0.583
ALP-POS-b0bc6a46-22
0.575
ALP-POS-02c6a514-37
0.575
ALP-POS-b0bc6a46-11
0.573
ALP-POS-02c6a514-18
0.573
ALP-POS-02c6a514-39
0.570
ALP-POS-b0bc6a46-24
0.570
MIC-UNK-8686cf1d-6
0.562
PAU-WEI-d9f77348-1
0.559
MIC-UNK-96659df2-1
0.559
ALP-POS-305f6ec3-49
0.557
ALP-POS-95f71980-4
0.557
ALP-POS-02c6a514-12
0.557
ALP-POS-02c6a514-28
0.556
ALP-POS-b0bc6a46-17
0.556
PET-UNK-48ab5cd7-5
0.556
PAU-WEI-ca14c437-1
0.556
KHR-WEI-75c61062-1
0.556
ALP-POS-02c6a514-5
0.555
ALP-POS-b0bc6a46-5
0.555
LON-WEI-2e27a2e5-2
0.554
ALP-POS-95f71980-21
0.553
LON-WEI-adc59df6-47
0.549
LON-POS-586a7c45-1
0.549
PAU-WEI-5b8d5051-1
0.549
ALP-POS-02c6a514-11
0.549
KHR-WEI-75c61062-2
0.546
ALP-POS-b0bc6a46-6
0.546
ALP-POS-02c6a514-7
0.546
ALP-POS-02c6a514-26
0.539
ALP-POS-02c6a514-29
0.537
ALP-POS-b0bc6a46-18
0.537
PAU-WEI-5b8d5051-2
0.535
LON-WEI-babf2c61-10
0.534
ALP-POS-95f71980-17
0.534
PET-UNK-48ab5cd7-1
0.534
MAT-POS-f2460aef-4
0.534
ALP-POS-95f71980-7
0.534
MIC-UNK-8686cf1d-2
0.533
ALP-POS-95f71980-6
0.529
ALP-POS-95f71980-18
0.529
PET-UNK-48ab5cd7-3
0.525
ALP-POS-305f6ec3-44
0.525
ALP-POS-305f6ec3-27
0.525
ALP-POS-305f6ec3-3
0.525
ALP-POS-95f71980-2
0.521
PET-UNK-7d68125a-2
0.521
PET-UNK-7d68125a-3
0.521
ALP-POS-02c6a514-50
0.521
ALP-POS-95f71980-25
0.521
ALP-POS-305f6ec3-14
0.521
ALP-POS-95f71980-22
0.521
ALP-POS-305f6ec3-55
0.521
ALP-POS-95f71980-24
0.521
ALP-POS-02c6a514-25
0.521
ALP-POS-305f6ec3-48
0.521
MAT-POS-f2460aef-5
0.521
LON-WEI-babf2c61-9
0.517
ALP-POS-02c6a514-52
0.517
ALP-POS-305f6ec3-59
0.517
ALP-POS-95f71980-23
0.517
ALP-POS-02c6a514-33
0.517
ALP-POS-95f71980-29
0.517
ALP-POS-305f6ec3-20
0.516
ALP-POS-305f6ec3-50
0.516
ALP-POS-305f6ec3-19
0.516
RYA-UNI-f4a878f6-1
0.513
ALP-POS-b0bc6a46-2
0.513
ALP-POS-02c6a514-2
0.513
RYA-UNI-c3f66fb2-1
0.513
PET-UNK-7d68125a-4
0.513
ALP-POS-02c6a514-22
0.513
ALP-POS-305f6ec3-41
0.513
ALP-POS-305f6ec3-46
0.513
PET-UNK-48ab5cd7-2
0.513
ALP-POS-305f6ec3-38
0.512
ALP-POS-305f6ec3-52
0.512
ALP-POS-305f6ec3-4
0.512
ALP-POS-02c6a514-21
0.512
ALP-POS-b0bc6a46-13
0.512
MAT-POS-02ae579f-1
0.509