Molecular Properties | |
SMILES: | Cc1ccc(-c2ccc(N(C(=O)c3ccco3)C(C(=O)NCCc3cccc(F)c3)c3cnccc3C)cc2)s1 |
MW: | 553.18 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 6.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
DAR-DIA-48c639f7-4
0.848
DAR-DIA-48c639f7-7
0.828
DAR-DIA-48c639f7-1
0.780
DAR-DIA-48c639f7-2
0.772
ALP-POS-02c6a514-44
0.758
PAU-WEI-df8f33bc-2
0.758
DAR-DIA-48c639f7-6
0.743
DAR-DIA-48c639f7-3
0.738
DAR-DIA-48c639f7-5
0.736
DAR-DIA-48c639f7-17
0.706
ALF-EVA-46063d6e-1
0.692
ALF-EVA-46063d6e-4
0.632
ALF-EVA-46063d6e-3
0.615
ALF-EVA-46063d6e-2
0.604
ALF-EVA-46063d6e-6
0.604
MIC-UNK-9ffaa625-1
0.588
ALF-EVA-46063d6e-7
0.583
ALF-EVA-719172df-3
0.580
MIC-UNK-96659df2-3
0.578
ALP-POS-d0876c20-1
0.575
MIC-UNK-9ffaa625-2
0.573
CHE-UNK-ae827f53-1
0.569
ALF-EVA-719172df-7
0.562
MIC-UNK-96659df2-2
0.562
ALF-EVA-719172df-2
0.558
ALF-EVA-719172df-1
0.557
ALF-EVA-719172df-6
0.556
MIC-UNK-96659df2-4
0.554
ALP-POS-b0bc6a46-23
0.550
ALP-POS-02c6a514-38
0.550
ALP-POS-02c6a514-13
0.548
ALF-EVA-719172df-5
0.548
MAT-POS-f2460aef-2
0.545
MAT-POS-f2460aef-1
0.545
DAR-DIA-48c639f7-9
0.545
LON-WEI-2e27a2e5-1
0.545
ALP-POS-02c6a514-37
0.541
ALP-POS-b0bc6a46-22
0.541
DAR-DIA-48c639f7-10
0.541
MIC-UNK-96659df2-1
0.540
ALP-POS-02c6a514-39
0.536
ALP-POS-b0bc6a46-24
0.536
DAR-DIA-48c639f7-11
0.535
DAR-DIA-48c639f7-15
0.535
ALP-POS-02c6a514-32
0.534
PAU-WEI-df8f33bc-1
0.534
MIC-UNK-7c90192e-2
0.525
PET-UNK-48ab5cd7-5
0.522
DAR-DIA-48c639f7-18
0.521
DAR-DIA-48c639f7-16
0.521
MIC-UNK-7c90192e-1
0.516
MAT-POS-02ae579f-1
0.514
ALP-POS-b0bc6a46-12
0.513
ALP-POS-02c6a514-20
0.513
PET-UNK-48ab5cd7-6
0.513
ALP-POS-b0bc6a46-5
0.508
ALP-POS-02c6a514-5
0.508
DAR-DIA-48c639f7-12
0.508
ALP-POS-b0bc6a46-11
0.500
ALP-POS-02c6a514-18
0.500
ALP-POS-02c6a514-27
0.500
ALP-POS-b0bc6a46-16
0.500
ALP-POS-02c6a514-19
0.496
PAU-WEI-ca14c437-1
0.496
ALP-POS-b0bc6a46-18
0.492
ALP-POS-02c6a514-29
0.492
ALP-POS-780445ae-3
0.492
MIC-UNK-8686cf1d-2
0.488
ALP-POS-a2344586-1
0.488
ALP-POS-02c6a514-7
0.487
ALP-POS-b0bc6a46-6
0.487
DAR-DIA-2b784ede-54
0.484
ALP-POS-02c6a514-9
0.483
ROB-UNI-269bf23d-1
0.482
DAR-DIA-48c639f7-14
0.480
MIC-UNK-8686cf1d-6
0.480
ALF-EVA-719172df-4
0.479
KHR-WEI-75c61062-1
0.477
ALP-POS-b0bc6a46-3
0.476
ALP-POS-02c6a514-3
0.476
PAU-WEI-d9f77348-1
0.475
DAR-DIA-48c639f7-13
0.472
KHR-WEI-75c61062-2
0.468
ALP-POS-02c6a514-34
0.468
ALP-POS-ced8ea4d-27
0.466
RYA-UNI-c3f66fb2-1
0.465
ALP-POS-02c6a514-41
0.463
ALP-POS-b0bc6a46-25
0.463
MAT-POS-c0143b99-1
0.462
ALP-POS-02c6a514-48
0.459
ALP-POS-b0bc6a46-13
0.457
ALP-POS-02c6a514-21
0.457
ALP-POS-e980f4ea-27
0.453
ALP-POS-02c6a514-2
0.452
ALP-POS-b0bc6a46-2
0.452
PET-UNK-48ab5cd7-4
0.450
MIC-UNK-8686cf1d-9
0.449
ALP-POS-b0bc6a46-8
0.446
ALP-POS-02c6a514-14
0.446
BRU-THA-92256091-24
0.445