Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)C1COc2c(Cl)cccc2C1 |
MW: | 533.15 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 84.67 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-8686cf1d-1
0.736
MIC-UNK-8686cf1d-7
0.727
MIC-UNK-8686cf1d-8
0.702
MIC-UNK-8686cf1d-3
0.664
MIC-UNK-8686cf1d-4
0.636
ALP-POS-02c6a514-36
0.609
ALP-POS-b0bc6a46-21
0.609
ALP-POS-b0bc6a46-28
0.593
ALP-POS-02c6a514-47
0.593
KHR-WEI-75c61062-2
0.561
ALP-POS-e980f4ea-4
0.560
ALP-POS-b0bc6a46-26
0.556
ALP-POS-02c6a514-42
0.556
ALP-POS-ced8ea4d-4
0.551
BRU-THA-92256091-58
0.551
ALP-POS-b0bc6a46-4
0.550
ALP-POS-02c6a514-4
0.550
MIC-UNK-8686cf1d-9
0.548
ALP-POS-02c6a514-15
0.546
ALP-POS-b0bc6a46-9
0.546
KHR-WEI-75c61062-1
0.541
ALP-POS-e980f4ea-22
0.525
ALP-POS-e980f4ea-13
0.525
ALF-EVA-719172df-6
0.522
ALP-POS-b0bc6a46-12
0.521
ALP-POS-02c6a514-20
0.521
ALP-POS-ced8ea4d-22
0.521
ALP-POS-ced8ea4d-13
0.521
ALP-POS-02c6a514-2
0.513
ALP-POS-b0bc6a46-2
0.513
BRU-THA-92256091-13
0.512
BRU-THA-92256091-9
0.512
ALP-POS-b0bc6a46-11
0.508
ALP-POS-e980f4ea-66
0.508
ALP-POS-02c6a514-18
0.508
ALP-POS-b0bc6a46-23
0.504
ALP-POS-02c6a514-38
0.504
PET-UNK-48ab5cd7-5
0.504
PAU-WEI-ca14c437-1
0.504
ALP-POS-e980f4ea-43
0.504
MIC-UNK-8686cf1d-6
0.500
MAT-POS-f2460aef-2
0.500
MAT-POS-f2460aef-1
0.500
BRU-THA-92256091-1
0.500
ALP-POS-e980f4ea-14
0.500
LON-WEI-2e27a2e5-1
0.500
ALP-POS-ced8ea4d-66
0.500
ALP-POS-e980f4ea-42
0.500
BRU-THA-92256091-29
0.496
MIC-UNK-8686cf1d-2
0.496
BRU-THA-92256091-39
0.496
BRU-THA-92256091-10
0.496
BRU-THA-92256091-69
0.496
ALP-POS-02c6a514-8
0.496
ALP-POS-b0bc6a46-7
0.496
ALP-POS-b0bc6a46-22
0.496
ALP-POS-02c6a514-37
0.496
ALP-POS-ced8ea4d-43
0.492
ALP-POS-ced8ea4d-14
0.492
ALP-POS-e980f4ea-56
0.492
ALP-POS-02c6a514-5
0.492
ALP-POS-b0bc6a46-5
0.492
ALP-POS-02c6a514-39
0.492
ALP-POS-b0bc6a46-24
0.492
BRU-THA-92256091-71
0.488
ALP-POS-b0bc6a46-29
0.488
ALP-POS-02c6a514-58
0.488
BRU-THA-92256091-2
0.488
ALP-POS-ced8ea4d-42
0.485
BRU-THA-92256091-70
0.485
ALP-POS-02c6a514-3
0.484
ALP-POS-b0bc6a46-3
0.484
BRU-THA-92256091-49
0.484
ALP-POS-ced8ea4d-56
0.484
ALP-POS-b0bc6a46-15
0.484
ALP-POS-02c6a514-24
0.484
ALP-POS-ced8ea4d-2
0.484
PAU-WEI-d9f77348-1
0.484
ALP-POS-e980f4ea-2
0.484
PET-UNK-48ab5cd7-4
0.484
BRU-THA-92256091-40
0.481
ALP-POS-b0bc6a46-10
0.480
ALP-POS-02c6a514-35
0.480
ALP-POS-b0bc6a46-20
0.480
ALP-POS-02c6a514-16
0.480
ALP-POS-b0bc6a46-8
0.480
ALP-POS-02c6a514-14
0.480
ALP-POS-e980f4ea-57
0.477
ALP-POS-02c6a514-10
0.477
ALP-POS-e980f4ea-60
0.477
ALP-POS-ced8ea4d-45
0.477
BRU-THA-92256091-38
0.476
RYA-UNI-f4a878f6-1
0.474
MIC-UNK-96659df2-5
0.474
ALP-POS-02c6a514-28
0.473
ALP-POS-b0bc6a46-17
0.473
ALP-POS-b0bc6a46-19
0.473
ALP-POS-02c6a514-30
0.473
BRU-THA-92256091-50
0.473
ALP-POS-ced8ea4d-29
0.473