Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NCCc1cccc(F)c1)N(C(=O)c1cc[nH]n1)c1csc(C(C)(C)C)n1 |
MW: | 520.21 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 103.87 |
cLogP: | 4.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
DAR-DIA-48c639f7-9
0.550
ALF-EVA-719172df-5
0.538
ALF-EVA-719172df-2
0.534
DAR-DIA-48c639f7-10
0.531
DAR-DIA-48c639f7-15
0.526
ALP-POS-d0876c20-1
0.525
ALP-POS-02c6a514-44
0.517
PAU-WEI-df8f33bc-2
0.517
ALF-EVA-719172df-3
0.517
DAR-DIA-48c639f7-11
0.513
DAR-DIA-48c639f7-18
0.513
ALF-EVA-46063d6e-1
0.508
ALF-EVA-719172df-1
0.508
DAR-DIA-48c639f7-16
0.500
DAR-DIA-48c639f7-12
0.500
DAR-DIA-48c639f7-8
0.492
DAR-DIA-2b784ede-54
0.488
DAR-DIA-48c639f7-14
0.484
MIC-UNK-96659df2-3
0.480
DAR-DIA-48c639f7-17
0.479
DAR-DIA-48c639f7-13
0.477
DAR-DIA-48c639f7-1
0.475
DAR-DIA-48c639f7-5
0.465
DAR-DIA-48c639f7-7
0.464
MIC-UNK-96659df2-4
0.462
DAR-DIA-48c639f7-2
0.460
MIC-UNK-96659df2-2
0.458
DAR-DIA-48c639f7-4
0.457
MAT-POS-c0143b99-1
0.454
MIC-UNK-96659df2-1
0.451
ALP-POS-305f6ec3-52
0.447
DAR-DIA-48c639f7-6
0.445
ALP-POS-95f71980-9
0.443
ALF-EVA-719172df-4
0.435
DAR-DIA-48c639f7-3
0.435
ALF-EVA-46063d6e-4
0.423
ALP-POS-305f6ec3-14
0.419
ALF-EVA-46063d6e-6
0.417
ALP-POS-95f71980-8
0.417
ALP-POS-95f71980-23
0.416
ALF-EVA-46063d6e-3
0.413
ALP-POS-305f6ec3-46
0.411
PET-UNK-48ab5cd7-3
0.411
ALP-POS-d0876c20-9
0.411
ALP-POS-305f6ec3-28
0.409
ALP-POS-305f6ec3-33
0.409
ALP-POS-95f71980-7
0.408
ALP-POS-02c6a514-49
0.408
PET-UNK-48ab5cd7-1
0.408
MAT-POS-f2460aef-3
0.408
MIC-UNK-9ffaa625-1
0.408
ALP-POS-95f71980-17
0.407
ALP-POS-95f71980-16
0.406
ALP-POS-305f6ec3-2
0.405
CHE-UNK-ae827f53-1
0.405
ALP-POS-95f71980-41
0.405
BRU-THA-92256091-12
0.405
BRU-THA-92256091-24
0.403
ALP-POS-95f71980-20
0.403
ALP-POS-305f6ec3-38
0.402
WIL-UNI-354943b6-10
0.402
ALP-POS-e980f4ea-34
0.400
ALP-POS-305f6ec3-17
0.400
PET-UNK-48ab5cd7-2
0.400
MIC-UNK-9ffaa625-2
0.398
ALP-POS-305f6ec3-57
0.398
ALP-POS-e980f4ea-58
0.398
ALP-POS-02c6a514-8
0.398
ALP-POS-b0bc6a46-7
0.398
ALP-POS-e980f4ea-27
0.398
BRU-THA-92256091-8
0.398
ALF-EVA-46063d6e-2
0.398
ALP-POS-95f71980-12
0.397
MAT-POS-f2460aef-5
0.397
ALP-UNI-c3ef0aba-3
0.397
ALP-POS-95f71980-24
0.397
ALP-POS-305f6ec3-48
0.397
ALP-POS-02c6a514-46
0.397
LON-WEI-babf2c61-10
0.395
ALP-POS-d0876c20-19
0.394
BRU-THA-92256091-19
0.394
ALP-POS-e980f4ea-28
0.393
ALP-POS-02c6a514-11
0.393
ALP-POS-305f6ec3-12
0.392
ALP-POS-02c6a514-52
0.392
ALP-POS-95f71980-4
0.392
ALP-POS-305f6ec3-39
0.391
BRU-THA-92256091-18
0.391
ALP-POS-e980f4ea-64
0.390
ALP-POS-95f71980-31
0.389
ALP-POS-95f71980-5
0.389
ALP-POS-95f71980-39
0.389
BRU-THA-92256091-26
0.389
ALP-POS-305f6ec3-27
0.389
ALP-POS-305f6ec3-41
0.389
ALP-POS-305f6ec3-44
0.389
ALP-POS-e980f4ea-19
0.389
ALP-POS-e980f4ea-7
0.388
BRU-THA-92256091-31
0.388
PET-UNK-7d68125a-4
0.387