Molecular Properties | |
SMILES: | Cc1ccccc1CN(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 471.21 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 90.98 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-7
0.778
ALP-POS-e980f4ea-64
0.772
ALP-POS-e980f4ea-46
0.768
ALP-POS-e980f4ea-40
0.765
BRU-THA-92256091-27
0.735
ALP-POS-e980f4ea-48
0.718
ALP-POS-ced8ea4d-41
0.693
ALP-POS-e980f4ea-58
0.644
ALP-POS-e980f4ea-28
0.636
ALP-POS-e980f4ea-27
0.624
ALP-POS-e980f4ea-54
0.618
ALP-POS-e980f4ea-22
0.606
ALP-POS-e980f4ea-13
0.590
ALP-POS-e980f4ea-9
0.590
ALP-POS-e980f4ea-19
0.590
ALP-POS-e980f4ea-2
0.583
ALP-POS-e980f4ea-67
0.579
ALP-POS-e980f4ea-52
0.579
BRU-THA-92256091-11
0.578
BRU-THA-92256091-7
0.577
ALP-POS-e980f4ea-5
0.574
ALP-POS-e980f4ea-51
0.574
ALP-POS-e980f4ea-12
0.574
ALP-POS-e980f4ea-11
0.574
ALP-POS-e980f4ea-66
0.569
ALP-POS-e980f4ea-44
0.568
BRU-THA-92256091-41
0.566
ALP-POS-e980f4ea-37
0.565
ALP-POS-e980f4ea-62
0.564
ALP-POS-02c6a514-2
0.563
ALP-POS-b0bc6a46-2
0.563
BRU-THA-92256091-28
0.562
ALP-POS-e980f4ea-39
0.560
ALP-POS-e980f4ea-49
0.560
ALP-POS-e980f4ea-14
0.559
ALP-POS-e980f4ea-23
0.558
ALP-POS-e980f4ea-61
0.558
ALP-POS-e980f4ea-29
0.554
ALP-POS-e980f4ea-45
0.554
ALP-POS-e980f4ea-55
0.553
ALP-POS-e980f4ea-31
0.552
ALP-POS-e980f4ea-63
0.550
ALP-POS-e980f4ea-16
0.549
ALP-POS-e980f4ea-43
0.549
ALP-POS-e980f4ea-6
0.549
ALP-POS-e980f4ea-56
0.549
ALP-POS-e980f4ea-35
0.548
BRU-THA-92256091-87
0.547
ALP-POS-e980f4ea-3
0.544
ALP-POS-e980f4ea-42
0.544
ALP-POS-e980f4ea-57
0.543
ALP-POS-e980f4ea-34
0.540
ALP-POS-e980f4ea-10
0.539
ALP-POS-e980f4ea-24
0.539
ALP-POS-e980f4ea-17
0.539
ALP-POS-e980f4ea-18
0.539
ALP-POS-e980f4ea-21
0.539
ALP-POS-ced8ea4d-7
0.538
ALP-POS-ced8ea4d-64
0.537
ALP-POS-b0bc6a46-10
0.535
ALP-POS-02c6a514-16
0.535
ALP-POS-e980f4ea-59
0.535
ALP-POS-e980f4ea-38
0.535
KHR-WEI-75c61062-1
0.535
ALP-POS-e980f4ea-36
0.534
ALP-POS-e980f4ea-65
0.534
ALP-POS-ced8ea4d-46
0.534
ALP-POS-ced8ea4d-40
0.530
ALP-POS-e980f4ea-33
0.530
ALP-POS-e980f4ea-15
0.530
BRU-THA-92256091-43
0.530
ALP-POS-e980f4ea-60
0.530
ALP-POS-e980f4ea-4
0.529
BRU-THA-92256091-26
0.526
ALP-POS-e980f4ea-8
0.526
ALP-POS-e980f4ea-20
0.526
ALP-POS-e980f4ea-53
0.521
ALP-POS-e980f4ea-26
0.521
ALP-POS-e980f4ea-50
0.517
ALP-POS-e980f4ea-47
0.517
ALP-POS-e980f4ea-32
0.517
ALP-POS-02c6a514-8
0.513
ALP-POS-b0bc6a46-7
0.513
ALP-POS-e980f4ea-25
0.508
ALP-POS-e980f4ea-30
0.508
ALP-POS-e980f4ea-1
0.500
ALP-POS-ced8ea4d-48
0.500
BRU-THA-92256091-6
0.500
ALP-POS-ced8ea4d-58
0.496
ALP-POS-305f6ec3-59
0.495
KHR-WEI-75c61062-2
0.495
BRU-THA-92256091-13
0.491
BRU-THA-92256091-8
0.491
LON-WEI-babf2c61-10
0.486
MIC-UNK-8686cf1d-9
0.486
ALP-POS-02c6a514-11
0.486
ALP-POS-02c6a514-35
0.483
ALP-POS-b0bc6a46-20
0.483
ALP-POS-02c6a514-52
0.482
BRU-THA-92256091-24
0.482