Molecular Properties | |
SMILES: | CCC(=O)NCc1cc(C(C)(C)C)ccc1N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cnccc1C |
MW: | 598.3 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 104.54 |
cLogP: | 6.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-96659df2-4
0.841
MIC-UNK-96659df2-3
0.778
MIC-UNK-96659df2-6
0.766
MIC-UNK-96659df2-1
0.739
PAU-WEI-df8f33bc-2
0.679
ALP-POS-02c6a514-44
0.679
MIC-UNK-96659df2-8
0.639
ALF-EVA-46063d6e-1
0.623
DAR-DIA-48c639f7-17
0.591
MIC-UNK-96659df2-7
0.583
DAR-DIA-48c639f7-2
0.580
DAR-DIA-48c639f7-4
0.574
DAR-DIA-48c639f7-1
0.571
ALF-EVA-46063d6e-4
0.569
ALF-EVA-46063d6e-3
0.568
DAR-DIA-48c639f7-8
0.562
MIC-UNK-96659df2-5
0.559
ALF-EVA-46063d6e-6
0.558
DAR-DIA-48c639f7-7
0.557
DAR-DIA-2b784ede-54
0.556
DAR-DIA-48c639f7-5
0.556
DAR-DIA-48c639f7-10
0.552
ALF-EVA-719172df-3
0.550
DAR-DIA-48c639f7-6
0.548
DAR-DIA-48c639f7-15
0.546
MIC-UNK-9ffaa625-1
0.545
DAR-DIA-48c639f7-9
0.543
ALF-EVA-46063d6e-2
0.543
DAR-DIA-48c639f7-3
0.535
DAR-DIA-48c639f7-11
0.533
ALF-EVA-719172df-7
0.533
ALP-POS-d0876c20-1
0.533
MIC-UNK-9ffaa625-2
0.532
ALF-EVA-719172df-2
0.529
ALF-EVA-719172df-1
0.528
CHE-UNK-ae827f53-1
0.528
ALF-EVA-46063d6e-7
0.525
DAR-DIA-48c639f7-12
0.520
ALF-EVA-719172df-5
0.520
LON-WEI-2e27a2e5-1
0.517
MAT-POS-f2460aef-2
0.517
MAT-POS-f2460aef-1
0.517
DAR-DIA-48c639f7-16
0.508
ALP-POS-02c6a514-13
0.508
DAR-DIA-48c639f7-18
0.508
MIC-UNK-7c90192e-2
0.500
ALP-POS-02c6a514-32
0.496
PAU-WEI-df8f33bc-1
0.496
MIC-UNK-7c90192e-1
0.481
DAR-DIA-48c639f7-14
0.481
ALP-POS-b0bc6a46-25
0.476
PET-UNK-48ab5cd7-6
0.476
ALP-POS-02c6a514-41
0.476
ALP-POS-02c6a514-20
0.476
PET-UNK-48ab5cd7-4
0.476
ALP-POS-b0bc6a46-12
0.476
MAT-POS-02ae579f-1
0.475
DAR-DIA-48c639f7-13
0.474
ALP-POS-02c6a514-19
0.472
ALP-POS-780445ae-3
0.458
ALF-EVA-719172df-4
0.457
ALP-POS-a2344586-1
0.454
ALP-POS-02c6a514-18
0.453
ALP-POS-b0bc6a46-11
0.453
ALF-EVA-719172df-6
0.451
ALP-POS-02c6a514-9
0.450
ALP-POS-b0bc6a46-8
0.449
ALP-POS-02c6a514-14
0.449
ALP-POS-02c6a514-38
0.447
ROB-UNI-269bf23d-1
0.447
ALP-POS-b0bc6a46-23
0.447
ALP-POS-02c6a514-31
0.443
KHR-WEI-75c61062-1
0.441
ALP-POS-02c6a514-37
0.440
ALP-POS-b0bc6a46-22
0.440
ALP-POS-02c6a514-48
0.438
ALP-POS-b0bc6a46-24
0.437
ALP-POS-02c6a514-39
0.437
ALP-POS-02c6a514-34
0.436
MIC-UNK-8686cf1d-6
0.436
ALF-EVA-46063d6e-5
0.435
KHR-WEI-75c61062-2
0.432
MAT-POS-c0143b99-1
0.429
ALP-POS-02c6a514-5
0.427
ALP-POS-b0bc6a46-5
0.427
PAU-WEI-ca14c437-1
0.426
PET-UNK-48ab5cd7-5
0.426
ALP-POS-95f71980-4
0.425
ALP-POS-305f6ec3-49
0.425
ALP-POS-02c6a514-12
0.425
ALP-POS-b0bc6a46-17
0.423
ALP-POS-02c6a514-28
0.423
ALP-POS-305f6ec3-44
0.422
MIC-UNK-8686cf1d-2
0.421
ALP-POS-95f71980-21
0.421
ALP-POS-02c6a514-26
0.421
ALP-POS-02c6a514-7
0.420
PAU-WEI-d9f77348-1
0.420
ALP-POS-b0bc6a46-6
0.420
LON-WEI-2e27a2e5-2
0.419