Molecular Properties | |
SMILES: | CC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 485.21 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 5.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
ALP-POS-b0bc6a46-22
0.828
ALP-POS-02c6a514-37
0.828
ALP-POS-02c6a514-38
0.826
ALP-POS-b0bc6a46-23
0.826
LON-WEI-2e27a2e5-1
0.816
MAT-POS-f2460aef-2
0.816
MAT-POS-f2460aef-1
0.816
ALP-POS-02c6a514-39
0.798
ALP-POS-b0bc6a46-24
0.798
PET-UNK-48ab5cd7-5
0.772
PET-UNK-48ab5cd7-6
0.755
ALP-POS-02c6a514-5
0.747
ALP-POS-b0bc6a46-5
0.747
ALP-POS-b0bc6a46-11
0.737
ALP-POS-02c6a514-18
0.737
RYA-UNI-c3f66fb2-1
0.722
MIC-UNK-8686cf1d-2
0.714
ALP-POS-b0bc6a46-6
0.701
ALP-POS-02c6a514-7
0.701
PAU-WEI-ca14c437-1
0.698
PAU-WEI-d9f77348-1
0.684
MIC-UNK-8686cf1d-6
0.683
KHR-WEI-75c61062-1
0.674
RYA-UNI-f4a878f6-1
0.670
ALP-POS-02c6a514-29
0.667
ALP-POS-02c6a514-27
0.667
ALP-POS-b0bc6a46-16
0.667
ALP-POS-b0bc6a46-18
0.667
KHR-WEI-75c61062-2
0.663
ALP-POS-b0bc6a46-12
0.653
ALP-POS-02c6a514-20
0.653
PET-UNK-48ab5cd7-4
0.653
ALP-POS-305f6ec3-49
0.649
ALP-POS-02c6a514-14
0.646
ALP-POS-b0bc6a46-8
0.646
ALP-POS-95f71980-21
0.646
MAT-POS-f2460aef-4
0.636
ALP-POS-b0bc6a46-25
0.634
ALP-POS-02c6a514-41
0.634
ALP-POS-02c6a514-12
0.633
ALP-POS-b0bc6a46-2
0.632
ALP-POS-02c6a514-2
0.632
MIC-UNK-8686cf1d-9
0.622
ALP-POS-95f71980-4
0.616
ALP-POS-b0bc6a46-13
0.615
ALP-POS-02c6a514-21
0.615
LON-WEI-2e27a2e5-2
0.615
ALP-POS-95f71980-6
0.614
ALP-POS-95f71980-18
0.612
ALP-POS-02c6a514-28
0.611
ALP-POS-b0bc6a46-17
0.611
MAT-POS-02ae579f-1
0.611
BRU-THA-92256091-22
0.610
MIC-UNK-96659df2-7
0.610
ALP-POS-02c6a514-11
0.608
ALP-POS-305f6ec3-4
0.606
ALP-POS-ced8ea4d-67
0.602
ALP-POS-1245c3fa-1
0.600
ALP-POS-02c6a514-3
0.598
ALP-POS-b0bc6a46-3
0.598
ALP-POS-95f71980-29
0.598
ALP-POS-ced8ea4d-9
0.598
ALP-POS-e980f4ea-67
0.598
ALP-POS-02c6a514-26
0.596
ALP-POS-e980f4ea-27
0.596
PET-UNK-48ab5cd7-3
0.594
ALP-POS-e980f4ea-9
0.594
ALP-POS-305f6ec3-44
0.594
ALP-POS-e980f4ea-19
0.594
ALP-POS-ced8ea4d-27
0.594
ALP-POS-e980f4ea-12
0.592
BRU-THA-92256091-18
0.592
ALP-POS-ced8ea4d-19
0.592
LON-POS-586a7c45-1
0.592
PAU-WEI-5b8d5051-1
0.592
PAU-WEI-5b8d5051-2
0.592
LON-WEI-adc59df6-47
0.592
ALP-POS-b0bc6a46-14
0.591
ALP-POS-02c6a514-23
0.591
ALP-POS-02c6a514-43
0.591
ALP-POS-b0bc6a46-27
0.591
MIC-UNK-96659df2-6
0.591
BRU-THA-92256091-21
0.590
ALP-POS-ced8ea4d-12
0.590
ALP-POS-95f71980-2
0.590
ALP-POS-95f71980-17
0.590
ALP-POS-95f71980-25
0.588
PAU-WEI-df8f33bc-2
0.588
ALP-POS-02c6a514-44
0.588
ALP-POS-02c6a514-50
0.588
LON-WEI-babf2c61-9
0.586
BRU-THA-92256091-24
0.584
ALP-POS-02c6a514-52
0.584
ALP-POS-305f6ec3-59
0.584
BRU-THA-92256091-19
0.583
ALP-POS-95f71980-23
0.583
BRU-THA-92256091-15
0.583
MIC-UNK-96659df2-8
0.582
ALP-POS-b0bc6a46-21
0.581
ALP-POS-02c6a514-36
0.581