Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)C1Cc2ccc(Cl)cc2C1 |
MW: | 517.16 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 5.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-8686cf1d-4
0.781
MIC-UNK-8686cf1d-1
0.745
MIC-UNK-8686cf1d-7
0.720
MIC-UNK-8686cf1d-5
0.664
MIC-UNK-8686cf1d-8
0.664
ALP-POS-02c6a514-36
0.642
ALP-POS-b0bc6a46-21
0.642
ALP-POS-02c6a514-47
0.640
ALP-POS-b0bc6a46-28
0.640
ALP-POS-02c6a514-42
0.610
ALP-POS-b0bc6a46-26
0.610
ALP-POS-b0bc6a46-9
0.589
ALP-POS-02c6a514-15
0.589
ALP-POS-b0bc6a46-4
0.579
ALP-POS-02c6a514-4
0.579
KHR-WEI-75c61062-2
0.578
MIC-UNK-8686cf1d-9
0.578
KHR-WEI-75c61062-1
0.573
BRU-THA-92256091-13
0.553
BRU-THA-92256091-9
0.553
ALF-EVA-719172df-6
0.550
MIC-UNK-8686cf1d-2
0.547
PET-UNK-48ab5cd7-5
0.544
ALP-POS-b0bc6a46-2
0.541
ALP-POS-02c6a514-2
0.541
ALP-POS-e980f4ea-13
0.540
ALP-POS-e980f4ea-22
0.540
BRU-THA-92256091-2
0.539
BRU-THA-92256091-1
0.538
ALP-POS-ced8ea4d-13
0.534
ALP-POS-ced8ea4d-22
0.534
BRU-THA-92256091-10
0.534
BRU-THA-92256091-39
0.534
BRU-THA-92256091-69
0.534
BRU-THA-92256091-29
0.533
ALP-POS-b0bc6a46-23
0.532
ALP-POS-02c6a514-38
0.532
ALP-POS-02c6a514-39
0.531
ALP-POS-b0bc6a46-24
0.531
PAU-WEI-ca14c437-1
0.530
BRU-THA-92256091-58
0.528
MAT-POS-f2460aef-2
0.527
MAT-POS-f2460aef-1
0.527
LON-WEI-2e27a2e5-1
0.527
BRU-THA-92256091-38
0.525
BRU-THA-92256091-71
0.525
ALP-POS-02c6a514-37
0.522
ALP-POS-b0bc6a46-22
0.522
ALP-POS-02c6a514-20
0.522
ALP-POS-b0bc6a46-12
0.522
ALP-POS-02c6a514-8
0.521
ALP-POS-b0bc6a46-11
0.521
ALP-POS-02c6a514-18
0.521
ALP-POS-e980f4ea-66
0.521
ALP-POS-b0bc6a46-7
0.521
BRU-THA-92256091-3
0.521
BRU-THA-92256091-25
0.521
BRU-THA-92256091-5
0.521
BRU-THA-92256091-49
0.521
BRU-THA-92256091-50
0.521
ALP-POS-b0bc6a46-17
0.520
ALP-POS-02c6a514-28
0.520
ALP-POS-b0bc6a46-5
0.517
ALP-POS-02c6a514-5
0.517
ALP-POS-e980f4ea-43
0.517
BRU-THA-92256091-33
0.517
BRU-THA-92256091-34
0.517
BRU-THA-92256091-40
0.516
RYA-UNI-f4a878f6-1
0.514
RYA-UNI-c3f66fb2-1
0.514
ALP-POS-ced8ea4d-66
0.513
ALP-POS-e980f4ea-14
0.513
MIC-UNK-8686cf1d-6
0.512
ALP-POS-b0bc6a46-29
0.512
ALP-POS-02c6a514-58
0.512
BRU-THA-92256091-46
0.512
ALP-POS-02c6a514-10
0.512
BRU-THA-92256091-47
0.512
ALP-POS-e980f4ea-4
0.512
PET-UNK-48ab5cd7-4
0.509
ALP-POS-e980f4ea-2
0.508
PAU-WEI-d9f77348-1
0.508
ALP-POS-02c6a514-24
0.508
ALP-POS-b0bc6a46-15
0.508
ALP-POS-ced8ea4d-2
0.508
BRU-THA-92256091-72
0.508
BRU-THA-92256091-36
0.508
BRU-THA-92256091-74
0.508
BRU-THA-92256091-70
0.508
ALP-POS-02c6a514-14
0.504
ALP-POS-b0bc6a46-8
0.504
ALP-POS-b0bc6a46-10
0.504
ALP-POS-02c6a514-16
0.504
ALP-POS-e980f4ea-56
0.504
ALP-POS-ced8ea4d-14
0.504
ALP-POS-ced8ea4d-43
0.504
BRU-THA-92256091-81
0.504
BRU-THA-92256091-82
0.504
BRU-THA-92256091-37
0.504
BRU-THA-92256091-48
0.504