Molecular Properties | |
SMILES: | CN(C)C(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1csc(C(C)(C)C)n1 |
MW: | 469.18 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 108.64 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-53
0.637
ALP-POS-02c6a514-54
0.505
ALP-POS-02c6a514-57
0.495
PET-UNK-48ab5cd7-4
0.486
ALP-POS-c59291d4-6
0.465
ALP-POS-02c6a514-56
0.462
ALP-POS-02c6a514-20
0.459
ALP-POS-b0bc6a46-12
0.459
ALP-POS-88a7a97e-10
0.452
LON-WEI-2e27a2e5-1
0.450
MAT-POS-f2460aef-1
0.450
MAT-POS-f2460aef-2
0.450
ALP-POS-02c6a514-55
0.441
ALP-POS-02c6a514-3
0.425
ALP-POS-b0bc6a46-3
0.425
ALP-POS-b0bc6a46-11
0.422
PET-UNK-48ab5cd7-6
0.422
ALP-POS-02c6a514-18
0.422
RYA-UNI-f4a878f6-1
0.421
MIC-UNK-96659df2-7
0.420
ALP-POS-02c6a514-37
0.420
ALP-POS-b0bc6a46-22
0.420
ALF-EVA-719172df-6
0.418
ALP-POS-02c6a514-38
0.414
ALP-POS-b0bc6a46-23
0.414
KHR-WEI-75c61062-2
0.410
RYA-UNI-c3f66fb2-1
0.409
PAU-WEI-ca14c437-1
0.405
ERI-UCB-fbdd3ea1-34
0.404
ALP-POS-02c6a514-39
0.404
ALP-POS-b0bc6a46-24
0.404
ALP-POS-02c6a514-8
0.398
ALP-POS-02c6a514-7
0.398
ALP-POS-b0bc6a46-6
0.398
ALP-POS-b0bc6a46-7
0.398
NIM-NMI-8bb27a2b-10
0.396
MIC-UNK-8686cf1d-6
0.393
PET-UNK-48ab5cd7-5
0.393
ALP-POS-02c6a514-14
0.393
ALP-POS-b0bc6a46-8
0.393
MIC-UNK-96659df2-8
0.392
NIM-NMI-8bb27a2b-12
0.391
MIC-UNK-96659df2-6
0.389
LON-WEI-adc59df6-40
0.389
MIC-UNK-8686cf1d-2
0.388
ALP-POS-b0bc6a46-25
0.387
PAU-WEI-d9f77348-1
0.387
ALP-POS-02c6a514-41
0.387
ALP-POS-b0bc6a46-2
0.384
ALP-POS-02c6a514-2
0.384
ALP-POS-b0bc6a46-5
0.383
ALP-POS-02c6a514-5
0.383
MIC-UNK-96659df2-5
0.383
ALP-POS-0c0a3b93-1
0.382
KHR-WEI-75c61062-1
0.380
NIM-NMI-8bb27a2b-11
0.376
ERI-UCB-fbdd3ea1-9
0.376
ALP-POS-95f71980-41
0.371
ALP-POS-b0bc6a46-18
0.371
ALP-POS-02c6a514-29
0.371
ALP-POS-b0bc6a46-17
0.370
ALP-POS-02c6a514-28
0.370
LON-WEI-adc59df6-30
0.369
LON-WEI-adc59df6-29
0.368
LON-WEI-adc59df6-23
0.366
NIM-NMI-8bb27a2b-5
0.366
NIM-NMI-8bb27a2b-13
0.365
PET-UNK-48ab5cd7-3
0.364
ALP-POS-b0bc6a46-13
0.364
ALP-POS-02c6a514-21
0.364
ALP-POS-b0bc6a46-9
0.364
ALP-POS-02c6a514-15
0.364
ALP-POS-88a7a97e-32
0.363
ALP-POS-02c6a514-49
0.361
ALP-POS-780445ae-3
0.360
LON-WEI-babf2c61-10
0.359
ALP-POS-95f71980-29
0.358
LON-WEI-adc59df6-28
0.358
LON-WEI-adc59df6-20
0.357
ALP-POS-305f6ec3-49
0.356
ALP-POS-02c6a514-12
0.356
ALP-POS-b0bc6a46-27
0.356
ALP-POS-02c6a514-43
0.356
ALP-POS-b0bc6a46-15
0.355
ALP-POS-02c6a514-24
0.355
ALP-POS-02c6a514-27
0.353
ALP-POS-b0bc6a46-16
0.353
NIM-NMI-8bb27a2b-14
0.353
ERI-UCB-fbdd3ea1-33
0.352
ALP-POS-95f71980-12
0.352
ALP-POS-88a7a97e-14
0.352
LON-WEI-adc59df6-36
0.351
NIM-NMI-8bb27a2b-4
0.351
ALP-POS-95f71980-21
0.350
ALP-POS-95f71980-16
0.350
ALP-POS-02c6a514-36
0.350
ALP-POS-b0bc6a46-21
0.350
LON-WEI-adc59df6-17
0.349
ALP-POS-88a7a97e-33
0.348
NIM-NMI-8bb27a2b-2
0.348