Molecular Properties | |
SMILES: | CCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 487.2 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-e980f4ea-19
0.846
ALP-POS-e980f4ea-51
0.819
ALP-POS-e980f4ea-12
0.819
ALP-POS-e980f4ea-27
0.793
ALP-POS-e980f4ea-28
0.772
ALP-POS-e980f4ea-52
0.771
ALP-POS-e980f4ea-9
0.768
ALP-POS-e980f4ea-49
0.763
ALP-POS-e980f4ea-62
0.747
ALP-POS-e980f4ea-5
0.745
BRU-THA-92256091-18
0.745
ALP-POS-e980f4ea-11
0.745
ALP-POS-e980f4ea-37
0.735
ALP-POS-e980f4ea-39
0.727
ALP-POS-e980f4ea-32
0.726
ALP-POS-e980f4ea-16
0.709
ALP-POS-ced8ea4d-67
0.703
ALP-POS-e980f4ea-17
0.695
ALP-POS-e980f4ea-44
0.683
ALP-POS-e980f4ea-63
0.680
ALP-POS-e980f4ea-24
0.679
ALP-POS-e980f4ea-38
0.676
ALP-POS-e980f4ea-10
0.664
ALP-POS-e980f4ea-36
0.657
ALP-POS-e980f4ea-50
0.651
ALP-POS-e980f4ea-15
0.651
ALP-POS-e980f4ea-8
0.648
ALP-POS-e980f4ea-18
0.648
ALP-POS-e980f4ea-20
0.648
ALP-POS-e980f4ea-21
0.648
ALP-POS-e980f4ea-59
0.645
ALP-POS-e980f4ea-65
0.642
ALP-POS-e980f4ea-53
0.642
ALP-POS-e980f4ea-47
0.636
WIL-UNI-354943b6-14
0.636
BRU-THA-92256091-19
0.635
ALP-POS-e980f4ea-1
0.628
ALP-POS-b0bc6a46-22
0.627
ALP-POS-02c6a514-37
0.627
ALP-POS-e980f4ea-25
0.625
ALP-POS-305f6ec3-59
0.621
ALP-POS-e980f4ea-34
0.620
BRU-THA-92256091-16
0.617
BRU-THA-92256091-17
0.617
PET-UNK-48ab5cd7-2
0.615
ALP-POS-e980f4ea-7
0.610
ALP-POS-e980f4ea-64
0.608
ALP-POS-e980f4ea-30
0.607
ALP-POS-02c6a514-52
0.606
ALP-UNI-fe744232-30
0.600
ALP-POS-e980f4ea-35
0.598
ALP-POS-ced8ea4d-19
0.598
ALP-POS-305f6ec3-52
0.598
ALP-POS-305f6ec3-39
0.598
ALF-EVA-719172df-6
0.598
BRU-THA-92256091-24
0.590
ALP-POS-1245c3fa-1
0.590
BRU-THA-92256091-93
0.588
BRU-THA-92256091-22
0.585
WIL-UNI-354943b6-2
0.583
WIL-UNI-354943b6-10
0.583
ALP-POS-ced8ea4d-12
0.582
ALP-POS-ced8ea4d-51
0.582
ALP-POS-e980f4ea-54
0.581
MAT-POS-f2460aef-3
0.579
ALP-POS-02c6a514-46
0.579
ALP-POS-e980f4ea-41
0.579
ALP-POS-e980f4ea-58
0.578
BRU-THA-92256091-23
0.578
BRU-THA-92256091-31
0.578
ALP-POS-02c6a514-38
0.577
ALP-POS-b0bc6a46-23
0.577
ALP-POS-b0bc6a46-24
0.575
ALP-POS-02c6a514-12
0.575
ALP-POS-02c6a514-39
0.575
BRU-THA-92256091-15
0.574
LON-WEI-2e27a2e5-2
0.573
MAT-POS-f2460aef-2
0.571
MAT-POS-f2460aef-1
0.571
LON-WEI-2e27a2e5-1
0.571
BRU-THA-92256091-8
0.571
ALP-POS-e980f4ea-13
0.570
ALP-POS-e980f4ea-22
0.570
ALP-POS-02c6a514-22
0.570
ALP-POS-780445ae-6
0.569
ALP-POS-02c6a514-11
0.567
ALP-POS-95f71980-2
0.566
ALP-POS-305f6ec3-14
0.565
MAT-POS-f2460aef-5
0.565
ALP-POS-02c6a514-25
0.565
ALP-POS-02c6a514-49
0.565
ALP-POS-305f6ec3-6
0.565
ALP-POS-305f6ec3-33
0.564
ALP-POS-e980f4ea-2
0.564
ALP-POS-305f6ec3-57
0.564
ALP-POS-e980f4ea-45
0.562
BRU-THA-92256091-80
0.562
ALP-POS-95f71980-23
0.560
ALP-POS-305f6ec3-2
0.560
BRU-THA-92256091-14
0.559