Molecular Properties | |
SMILES: | CNC(=O)NCc1cc(C(C)(C)C)ccc1N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cnccc1C |
MW: | 599.29 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 116.57 |
cLogP: | 5.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-96659df2-2
0.841
MIC-UNK-96659df2-3
0.785
MIC-UNK-96659df2-8
0.764
MIC-UNK-96659df2-1
0.730
PAU-WEI-df8f33bc-2
0.670
ALP-POS-02c6a514-44
0.670
MIC-UNK-96659df2-6
0.639
ALF-EVA-46063d6e-1
0.628
MIC-UNK-96659df2-7
0.588
DAR-DIA-48c639f7-17
0.583
DAR-DIA-48c639f7-2
0.571
DAR-DIA-48c639f7-1
0.563
DAR-DIA-2b784ede-54
0.561
ALF-EVA-46063d6e-4
0.560
DAR-DIA-48c639f7-10
0.557
DAR-DIA-48c639f7-8
0.554
DAR-DIA-48c639f7-6
0.553
MIC-UNK-96659df2-5
0.551
DAR-DIA-48c639f7-15
0.551
DAR-DIA-48c639f7-7
0.549
DAR-DIA-48c639f7-5
0.548
DAR-DIA-48c639f7-9
0.548
ALF-EVA-46063d6e-3
0.546
ALF-EVA-719172df-3
0.542
DAR-DIA-48c639f7-4
0.540
DAR-DIA-48c639f7-11
0.538
ALF-EVA-46063d6e-6
0.537
MIC-UNK-9ffaa625-1
0.537
ALF-EVA-46063d6e-2
0.534
DAR-DIA-48c639f7-3
0.528
ALF-EVA-719172df-7
0.525
DAR-DIA-48c639f7-12
0.525
ALP-POS-d0876c20-1
0.525
MIC-UNK-9ffaa625-2
0.524
ALF-EVA-719172df-2
0.521
CHE-UNK-ae827f53-1
0.520
ALF-EVA-46063d6e-7
0.517
DAR-DIA-48c639f7-18
0.512
DAR-DIA-48c639f7-16
0.512
ALF-EVA-719172df-5
0.512
MAT-POS-f2460aef-1
0.508
LON-WEI-2e27a2e5-1
0.508
MAT-POS-f2460aef-2
0.508
ALF-EVA-719172df-1
0.508
ALP-POS-02c6a514-13
0.500
DAR-DIA-48c639f7-14
0.496
MIC-UNK-7c90192e-2
0.492
DAR-DIA-48c639f7-13
0.489
PAU-WEI-df8f33bc-1
0.488
ALP-POS-02c6a514-32
0.488
ALP-POS-b0bc6a46-25
0.480
ALP-POS-02c6a514-41
0.480
ALP-POS-02c6a514-20
0.480
PET-UNK-48ab5cd7-4
0.480
ALP-POS-b0bc6a46-12
0.480
MIC-UNK-7c90192e-1
0.473
PET-UNK-48ab5cd7-6
0.468
MAT-POS-02ae579f-1
0.466
ALP-POS-02c6a514-19
0.464
ALP-POS-780445ae-3
0.462
ALP-POS-b0bc6a46-8
0.452
ALP-POS-02c6a514-14
0.452
ALF-EVA-719172df-4
0.449
ALP-POS-a2344586-1
0.446
ALP-POS-b0bc6a46-11
0.445
ALP-POS-02c6a514-18
0.445
ALF-EVA-719172df-6
0.443
ALP-POS-02c6a514-9
0.442
ALP-POS-02c6a514-38
0.439
ALP-POS-b0bc6a46-23
0.439
ROB-UNI-269bf23d-1
0.439
KHR-WEI-75c61062-2
0.436
ALP-POS-02c6a514-31
0.435
KHR-WEI-75c61062-1
0.432
ALP-POS-02c6a514-37
0.432
ALP-POS-b0bc6a46-22
0.432
MAT-POS-c0143b99-1
0.432
ALP-POS-02c6a514-48
0.431
PAU-WEI-ca14c437-1
0.430
PET-UNK-48ab5cd7-5
0.430
ALP-POS-b0bc6a46-24
0.429
ALP-POS-02c6a514-39
0.429
ALP-POS-02c6a514-34
0.429
ALP-POS-02c6a514-28
0.426
ALP-POS-b0bc6a46-17
0.426
PAU-WEI-d9f77348-1
0.423
ALP-POS-b0bc6a46-2
0.423
ALP-POS-02c6a514-2
0.423
ALP-POS-b0bc6a46-5
0.420
ALP-POS-02c6a514-5
0.420
PAU-WEI-5b8d5051-1
0.419
LON-POS-586a7c45-1
0.419
LON-WEI-adc59df6-47
0.419
ALP-POS-95f71980-4
0.417
ALP-POS-02c6a514-12
0.417
ALP-POS-305f6ec3-49
0.417
ALP-POS-305f6ec3-44
0.414
MIC-UNK-8686cf1d-2
0.414
ALP-POS-95f71980-21
0.413
ALP-POS-02c6a514-26
0.413