Molecular Properties | |
SMILES: | CCC1(CC)C(OC)C(C)C1N(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 521.27 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 84.67 |
cLogP: | 5.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-b0bc6a46-9
1.000
ALP-POS-b0bc6a46-4
0.630
ALP-POS-02c6a514-4
0.630
KHR-WEI-75c61062-1
0.612
KHR-WEI-75c61062-2
0.602
ALP-POS-b0bc6a46-21
0.591
ALP-POS-02c6a514-36
0.591
MIC-UNK-8686cf1d-3
0.589
MIC-UNK-8686cf1d-9
0.585
ALP-POS-02c6a514-37
0.585
ALP-POS-b0bc6a46-22
0.585
ALP-POS-b0bc6a46-15
0.580
ALP-POS-02c6a514-24
0.580
ALP-POS-b0bc6a46-24
0.579
ALP-POS-02c6a514-39
0.579
MIC-UNK-8686cf1d-4
0.578
ALP-POS-b0bc6a46-28
0.575
ALP-POS-02c6a514-47
0.575
MIC-UNK-8686cf1d-1
0.574
ALF-EVA-719172df-6
0.571
ALP-POS-b0bc6a46-23
0.566
ALP-POS-02c6a514-38
0.566
MIC-UNK-8686cf1d-7
0.565
PET-UNK-48ab5cd7-5
0.564
ALP-POS-b0bc6a46-26
0.563
ALP-POS-02c6a514-42
0.563
ALP-POS-02c6a514-2
0.562
ALP-POS-b0bc6a46-2
0.562
MAT-POS-f2460aef-1
0.561
LON-WEI-2e27a2e5-1
0.561
MAT-POS-f2460aef-2
0.561
MIC-UNK-8686cf1d-8
0.559
ALP-POS-b0bc6a46-11
0.554
ALP-POS-02c6a514-18
0.554
ALP-POS-02c6a514-41
0.554
ALP-POS-b0bc6a46-25
0.554
MIC-UNK-8686cf1d-2
0.553
PAU-WEI-ca14c437-1
0.550
ALP-POS-02c6a514-14
0.550
ALP-POS-b0bc6a46-8
0.550
MIC-UNK-8686cf1d-5
0.546
ALP-POS-b0bc6a46-18
0.543
ALP-POS-02c6a514-58
0.543
ALP-POS-b0bc6a46-29
0.543
ALP-POS-02c6a514-29
0.543
ALP-POS-b0bc6a46-12
0.541
ALP-POS-02c6a514-20
0.541
PET-UNK-48ab5cd7-4
0.541
ALP-POS-b0bc6a46-6
0.540
ALP-POS-02c6a514-7
0.540
PET-UNK-48ab5cd7-6
0.540
PAU-WEI-d9f77348-1
0.540
ALP-POS-b0bc6a46-1
0.538
ALP-POS-02c6a514-1
0.538
ALP-POS-b0bc6a46-17
0.538
ALP-POS-02c6a514-28
0.538
ALP-POS-02c6a514-5
0.535
ALP-POS-b0bc6a46-5
0.535
RYA-UNI-f4a878f6-1
0.533
ALP-POS-b0bc6a46-7
0.526
ALP-POS-02c6a514-8
0.526
ALP-POS-b0bc6a46-14
0.524
ALP-POS-02c6a514-23
0.524
RYA-UNI-c3f66fb2-1
0.519
MIC-UNK-8686cf1d-6
0.517
ALP-POS-02c6a514-21
0.516
ALP-POS-b0bc6a46-13
0.516
MIC-UNK-96659df2-7
0.508
ALP-POS-b0bc6a46-10
0.508
ALP-POS-02c6a514-35
0.508
ALP-POS-e980f4ea-6
0.508
ALP-POS-02c6a514-16
0.508
ALP-POS-b0bc6a46-20
0.508
ALP-POS-ced8ea4d-6
0.504
BRU-THA-92256091-5
0.500
ALP-POS-b0bc6a46-27
0.500
ALP-POS-b0bc6a46-3
0.500
BRU-THA-92256091-3
0.500
ALP-POS-02c6a514-3
0.500
ALP-POS-02c6a514-43
0.500
BRU-THA-92256091-37
0.496
ALP-POS-02c6a514-10
0.492
ALP-POS-e980f4ea-22
0.491
ALP-POS-e980f4ea-13
0.491
MIC-UNK-96659df2-8
0.488
BRU-THA-92256091-50
0.488
BRU-THA-92256091-69
0.487
ALP-POS-ced8ea4d-13
0.487
ALP-POS-ced8ea4d-22
0.487
ALP-POS-e980f4ea-66
0.487
MIC-UNK-96659df2-6
0.484
ALP-POS-e980f4ea-43
0.483
ALP-POS-e980f4ea-56
0.483
ALP-POS-1245c3fa-2
0.483
ALP-POS-02c6a514-12
0.482
ALP-POS-95f71980-4
0.482
BRU-THA-92256091-71
0.479
ALP-POS-ced8ea4d-66
0.479
ALP-POS-e980f4ea-14
0.479
BRU-THA-92256091-1
0.479