Molecular Properties | |
SMILES: | Cc1cc(F)cc(CCNC(=O)C(c2cnccc2C)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)c1 |
MW: | 527.26 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 6.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
ALF-EVA-46063d6e-4
0.878
ALF-EVA-46063d6e-7
0.856
ALP-POS-02c6a514-44
0.809
PAU-WEI-df8f33bc-2
0.809
ALF-EVA-46063d6e-6
0.740
ROB-UNI-269bf23d-1
0.650
ALF-EVA-46063d6e-2
0.644
ALF-EVA-46063d6e-1
0.638
DAR-DIA-48c639f7-1
0.626
MIC-UNK-9ffaa625-1
0.624
DAR-DIA-48c639f7-2
0.620
ALF-EVA-719172df-3
0.617
DAR-DIA-48c639f7-8
0.615
DAR-DIA-48c639f7-3
0.611
DAR-DIA-48c639f7-7
0.609
MIC-UNK-9ffaa625-2
0.607
DAR-DIA-48c639f7-17
0.604
CHE-UNK-ae827f53-1
0.604
ALF-EVA-46063d6e-5
0.602
DAR-DIA-48c639f7-6
0.598
DAR-DIA-48c639f7-4
0.598
ALF-EVA-719172df-7
0.598
ALP-POS-d0876c20-1
0.596
LON-WEI-2e27a2e5-1
0.596
MAT-POS-f2460aef-2
0.596
MAT-POS-f2460aef-1
0.596
DAR-DIA-48c639f7-5
0.593
ALF-EVA-719172df-2
0.593
ALF-EVA-719172df-1
0.591
ALF-EVA-719172df-5
0.582
ALP-POS-02c6a514-13
0.582
DAR-DIA-48c639f7-9
0.581
DAR-DIA-48c639f7-10
0.575
MIC-UNK-96659df2-3
0.570
DAR-DIA-48c639f7-15
0.569
DAR-DIA-48c639f7-11
0.569
MIC-UNK-96659df2-2
0.568
PAU-WEI-df8f33bc-1
0.566
ALP-POS-02c6a514-32
0.566
MIC-UNK-96659df2-1
0.558
DAR-DIA-48c639f7-16
0.554
DAR-DIA-48c639f7-18
0.554
MAT-POS-02ae579f-1
0.548
MIC-UNK-7c90192e-1
0.547
MIC-UNK-96659df2-4
0.546
MIC-UNK-7c90192e-2
0.543
ALP-POS-02c6a514-19
0.541
DAR-DIA-48c639f7-12
0.540
DAR-DIA-48c639f7-14
0.521
ALP-POS-a2344586-1
0.517
DAR-DIA-48c639f7-13
0.512
ALF-EVA-719172df-4
0.509
PET-UNK-48ab5cd7-6
0.504
ALP-POS-02c6a514-9
0.500
ALP-POS-02c6a514-54
0.495
ALP-POS-02c6a514-48
0.487
ALP-POS-02c6a514-34
0.483
ALP-POS-305f6ec3-44
0.482
ALP-POS-02c6a514-53
0.481
ALP-POS-02c6a514-31
0.479
ALF-EVA-719172df-6
0.477
ALP-POS-02c6a514-12
0.474
ALP-POS-305f6ec3-49
0.474
ALP-POS-02c6a514-38
0.473
ALP-POS-b0bc6a46-23
0.473
ALP-POS-02c6a514-57
0.472
ALP-POS-c59291d4-6
0.471
ALP-POS-95f71980-21
0.469
ALP-POS-b0bc6a46-22
0.465
ALP-POS-02c6a514-37
0.465
PET-UNK-48ab5cd7-5
0.462
ALP-POS-95f71980-6
0.462
ALP-POS-02c6a514-39
0.461
ALP-POS-02c6a514-55
0.461
ALP-POS-b0bc6a46-24
0.461
ALP-POS-95f71980-4
0.461
ALP-POS-780445ae-1
0.458
ALP-POS-02c6a514-26
0.456
LON-WEI-2e27a2e5-2
0.455
ALP-POS-02c6a514-56
0.455
ALP-POS-02c6a514-18
0.454
ALP-POS-b0bc6a46-11
0.454
MAT-POS-f2460aef-4
0.453
ALP-POS-b0bc6a46-12
0.453
ALP-POS-02c6a514-20
0.453
ALP-POS-95f71980-2
0.452
DAR-DIA-2b784ede-54
0.452
ALP-POS-02c6a514-11
0.451
ALP-POS-95f71980-18
0.450
ALP-POS-95f71980-23
0.449
ALP-POS-02c6a514-52
0.448
ALP-POS-305f6ec3-46
0.444
PET-UNK-48ab5cd7-3
0.444
PET-UNK-48ab5cd7-4
0.441
MAT-POS-f2460aef-5
0.441
ALP-POS-02c6a514-50
0.441
ALP-POS-95f71980-25
0.441
MAT-POS-f2460aef-3
0.441
ALP-POS-02c6a514-49
0.441
ALP-POS-95f71980-17
0.440