Molecular Properties | |
SMILES: | CN(C)CCNC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 |
MW: | 448.25 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 78.68 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-53
0.775
ALP-POS-c59291d4-6
0.747
ALP-POS-02c6a514-57
0.735
ALP-POS-02c6a514-55
0.719
LON-WEI-2e27a2e5-1
0.716
MAT-POS-f2460aef-1
0.716
MAT-POS-f2460aef-2
0.716
ALP-POS-02c6a514-56
0.686
LON-WEI-adc59df6-29
0.683
ALP-POS-88a7a97e-22
0.674
ALP-POS-0c0a3b93-1
0.611
PET-UNK-48ab5cd7-6
0.596
RYA-UNI-c3f66fb2-1
0.574
ALF-EVA-719172df-6
0.568
ALP-POS-b0bc6a46-23
0.562
ALP-POS-02c6a514-38
0.562
ALP-POS-305f6ec3-49
0.561
ALP-POS-95f71980-21
0.557
ALP-POS-02c6a514-37
0.551
ALP-POS-b0bc6a46-22
0.551
ALP-POS-88a7a97e-35
0.549
ALP-POS-b0bc6a46-24
0.545
ALP-POS-02c6a514-39
0.545
ALP-POS-02c6a514-12
0.545
ALP-POS-88a7a97e-16
0.543
LON-WEI-adc59df6-30
0.540
LON-WEI-adc59df6-17
0.538
MAT-POS-f2460aef-4
0.535
LON-WEI-adc59df6-31
0.533
ALP-POS-88a7a97e-2
0.532
ALP-POS-95f71980-4
0.530
PET-UNK-48ab5cd7-5
0.529
ALP-POS-95f71980-6
0.529
ALP-POS-88a7a97e-14
0.527
RYA-UNI-f4a878f6-1
0.526
LON-WEI-2e27a2e5-2
0.526
LON-WEI-adc59df6-26
0.522
LON-WEI-adc59df6-40
0.521
ALP-POS-88a7a97e-31
0.521
MAT-POS-02ae579f-1
0.521
ALP-POS-02c6a514-11
0.520
ALF-EVA-46063d6e-7
0.520
ALP-POS-02c6a514-46
0.520
ALP-POS-88a7a97e-1
0.516
LON-WEI-adc59df6-28
0.516
ALP-POS-88a7a97e-10
0.516
ALP-POS-88a7a97e-4
0.515
ALP-POS-88a7a97e-3
0.515
ALP-POS-88a7a97e-46
0.515
LON-WEI-adc59df6-25
0.515
ALP-POS-95f71980-18
0.514
ALP-POS-02c6a514-5
0.514
ALP-POS-b0bc6a46-5
0.514
MIC-UNK-96659df2-7
0.514
LON-WEI-adc59df6-27
0.511
LON-WEI-adc59df6-7
0.510
ALP-POS-02c6a514-26
0.510
ALP-POS-305f6ec3-44
0.510
ALF-EVA-46063d6e-4
0.510
PET-UNK-48ab5cd7-3
0.510
ALP-POS-305f6ec3-4
0.509
LON-WEI-adc59df6-10
0.505
ERI-UCB-fbdd3ea1-9
0.505
LON-WEI-adc59df6-2
0.505
ALP-POS-780445ae-4
0.505
LON-POS-586a7c45-1
0.505
PAU-WEI-5b8d5051-1
0.505
LON-WEI-adc59df6-47
0.505
ALP-POS-95f71980-2
0.505
ALP-POS-95f71980-17
0.505
ALP-POS-88a7a97e-48
0.505
ALP-POS-88a7a97e-11
0.505
ALP-POS-88a7a97e-47
0.505
ALP-POS-95f71980-22
0.505
ALP-POS-305f6ec3-48
0.505
ALP-POS-02c6a514-44
0.505
ALP-POS-02c6a514-50
0.505
ALP-POS-95f71980-25
0.505
PET-UNK-48ab5cd7-4
0.505
PAU-WEI-df8f33bc-2
0.505
ALP-POS-02c6a514-18
0.505
ALP-POS-b0bc6a46-11
0.505
ALP-POS-305f6ec3-19
0.500
ALP-POS-88a7a97e-17
0.500
ALF-EVA-46063d6e-5
0.500
ALP-POS-88a7a97e-7
0.500
ALP-POS-88a7a97e-19
0.500
ALP-POS-95f71980-23
0.500
ALP-POS-95f71980-29
0.500
ALP-POS-305f6ec3-59
0.500
ALP-POS-02c6a514-52
0.500
LON-WEI-adc59df6-22
0.500
ALP-POS-88a7a97e-33
0.500
ALF-EVA-46063d6e-3
0.495
ALP-POS-305f6ec3-41
0.495
ALP-POS-305f6ec3-46
0.495
PET-UNK-48ab5cd7-2
0.495
ALP-POS-305f6ec3-27
0.495
ALP-POS-02c6a514-22
0.495
ALP-POS-88a7a97e-13
0.495