Molecular Properties | |
SMILES: | CN(C)C(=O)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(C(C)(C)C)cc1 |
MW: | 405.22 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.19 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-84f19ead-1
0.683
ALP-POS-84f19ead-4
0.675
ALP-POS-84f19ead-2
0.667
BRU-THA-40a53a3c-1
0.644
MAT-POS-f2460aef-3
0.602
ALP-POS-88a7a97e-1
0.535
ALP-POS-88a7a97e-10
0.533
WIL-UNI-354943b6-10
0.525
ALP-POS-88a7a97e-35
0.517
ALP-POS-42f3de95-2
0.515
ALP-POS-88a7a97e-14
0.511
ALP-POS-02c6a514-53
0.511
ALP-POS-88a7a97e-18
0.506
ALP-POS-88a7a97e-7
0.500
ALP-POS-88a7a97e-32
0.500
ALP-POS-88a7a97e-33
0.500
ALP-POS-88a7a97e-2
0.500
ALP-POS-88a7a97e-22
0.500
ALP-POS-88a7a97e-38
0.484
ALP-POS-88a7a97e-12
0.484
ALP-POS-c59291d4-6
0.483
ALP-POS-88a7a97e-16
0.479
ALP-POS-88a7a97e-45
0.479
ALP-POS-02c6a514-54
0.478
ALP-POS-88a7a97e-11
0.475
ALP-POS-88a7a97e-34
0.474
ALP-POS-88a7a97e-31
0.474
LON-WEI-adc59df6-30
0.471
BRU-THA-92256091-19
0.471
BRU-THA-92256091-24
0.470
WIL-UNI-de614146-7
0.470
ALP-POS-1245c3fa-1
0.470
ALP-POS-88a7a97e-19
0.469
ALP-POS-88a7a97e-4
0.469
ALP-POS-88a7a97e-3
0.469
ALP-POS-88a7a97e-29
0.469
ALP-POS-88a7a97e-46
0.469
ALP-POS-88a7a97e-28
0.469
WIL-UNI-de614146-2
0.466
BRU-THA-92256091-18
0.466
WIL-UNI-de614146-8
0.465
BRU-THA-92256091-22
0.465
WIL-UNI-de614146-3
0.465
ALP-POS-88a7a97e-13
0.465
ALP-POS-88a7a97e-5
0.464
ALP-POS-02c6a514-56
0.463
ALP-POS-0c0a3b93-1
0.463
WIL-UNI-354943b6-8
0.462
WIL-UNI-de614146-5
0.461
WIL-UNI-de614146-14
0.461
ALP-POS-88a7a97e-47
0.461
ALP-POS-88a7a97e-48
0.460
ALP-POS-88a7a97e-8
0.459
WIL-UNI-354943b6-3
0.457
BRU-THA-92256091-15
0.456
WIL-UNI-de614146-4
0.456
WIL-UNI-de614146-12
0.456
ALP-POS-88a7a97e-41
0.455
ALP-POS-88a7a97e-17
0.455
ALP-POS-88a7a97e-39
0.455
WIL-UNI-de614146-10
0.453
WIL-UNI-de614146-15
0.453
ALP-POS-02c6a514-57
0.453
WIL-UNI-354943b6-2
0.452
WIL-UNI-de614146-16
0.452
ALP-POS-88a7a97e-44
0.452
ALP-POS-88a7a97e-21
0.451
ALP-POS-42f3de95-1
0.451
LON-WEI-adc59df6-29
0.451
BRU-THA-92256091-8
0.450
ALP-POS-88a7a97e-9
0.450
BRU-THA-92256091-86
0.450
BRU-THA-92256091-23
0.448
ALP-POS-305f6ec3-33
0.448
WIL-UNI-de614146-9
0.448
ALP-POS-305f6ec3-14
0.447
ALP-POS-88a7a97e-30
0.446
WIL-UNI-354943b6-9
0.444
BRU-THA-92256091-17
0.443
WIL-UNI-de614146-6
0.443
WIL-UNI-354943b6-7
0.443
BRU-THA-92256091-14
0.443
BRU-THA-92256091-16
0.443
BRU-THA-92256091-20
0.443
LON-WEI-adc59df6-3
0.442
ALP-POS-02c6a514-55
0.441
ALP-POS-88a7a97e-15
0.441
ALP-POS-88a7a97e-26
0.441
WIL-UNI-354943b6-5
0.439
BRU-THA-92256091-21
0.439
BRU-THA-92256091-32
0.438
PET-UNK-48ab5cd7-3
0.437
ALP-POS-88a7a97e-27
0.437
ALP-POS-88a7a97e-36
0.437
ALP-POS-88a7a97e-42
0.437
BRU-THA-92256091-80
0.435
WIL-UNI-354943b6-12
0.435
WIL-UNI-354943b6-14
0.435
BRU-THA-92256091-85
0.435
LON-WEI-adc59df6-31
0.435