Molecular Properties | |
SMILES: | N#Cc1ccc(N(C(=O)c2nccs2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 485.13 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 98.98 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-49
0.789
WIL-UNI-354943b6-2
0.720
ALP-POS-02c6a514-39
0.714
ALP-POS-b0bc6a46-24
0.714
ALP-UNI-fe744232-3
0.696
ALP-POS-02c6a514-33
0.629
ALP-POS-95f71980-29
0.598
PET-UNK-48ab5cd7-2
0.579
BRU-THA-92256091-21
0.577
ALP-POS-95f71980-17
0.575
ALP-POS-02c6a514-12
0.570
ALP-POS-1245c3fa-1
0.570
BRU-THA-92256091-24
0.570
ALP-POS-e980f4ea-67
0.569
ALP-POS-305f6ec3-2
0.569
LON-WEI-2e27a2e5-2
0.567
PET-UNK-7d68125a-4
0.566
ALP-POS-e980f4ea-27
0.566
PET-UNK-48ab5cd7-3
0.565
BRU-THA-92256091-22
0.565
ALP-POS-305f6ec3-44
0.565
ALP-POS-305f6ec3-41
0.565
BRU-THA-92256091-18
0.564
ALP-POS-305f6ec3-3
0.564
ALP-POS-02c6a514-11
0.562
ALF-EVA-719172df-6
0.562
PET-UNK-7d68125a-2
0.561
ALP-POS-95f71980-2
0.561
PET-UNK-7d68125a-3
0.561
ALP-POS-02c6a514-46
0.560
MAT-POS-f2460aef-3
0.560
PET-UNK-48ab5cd7-6
0.559
BRU-THA-92256091-80
0.558
ALP-POS-305f6ec3-17
0.558
ALP-POS-02c6a514-38
0.557
ALP-POS-b0bc6a46-23
0.557
ALP-POS-95f71980-4
0.556
JOE-NOR-4e4adc6b-1
0.556
ALP-POS-02c6a514-52
0.556
ALP-POS-95f71980-23
0.555
BRU-THA-92256091-15
0.555
BRU-THA-92256091-19
0.555
ALP-POS-e980f4ea-62
0.554
WIL-UNI-354943b6-3
0.554
WIL-UNI-354943b6-7
0.554
ALP-POS-95f71980-21
0.551
LON-WEI-2e27a2e5-1
0.551
MAT-POS-f2460aef-1
0.551
MAT-POS-f2460aef-2
0.551
ALP-POS-02c6a514-26
0.551
BRU-THA-92256091-8
0.551
ALP-POS-02c6a514-22
0.550
ALP-POS-e980f4ea-9
0.550
ALP-POS-305f6ec3-27
0.550
ALP-POS-e980f4ea-19
0.550
PET-UNK-7d68125a-1
0.550
ALP-POS-305f6ec3-46
0.550
ALP-POS-ced8ea4d-27
0.550
WIL-UNI-354943b6-10
0.550
ALP-POS-305f6ec3-4
0.549
ALP-POS-e980f4ea-28
0.547
PAU-WEI-5b8d5051-2
0.547
ALP-POS-02c6a514-37
0.546
ALP-POS-b0bc6a46-22
0.546
ALP-UNI-c3ef0aba-3
0.545
ALP-POS-95f71980-7
0.545
ALP-POS-95f71980-24
0.545
ALP-POS-02c6a514-50
0.545
ALP-POS-02c6a514-25
0.545
ALP-POS-02c6a514-6
0.545
ALP-POS-305f6ec3-55
0.545
BRU-THA-92256091-23
0.545
ALP-POS-ced8ea4d-67
0.545
ALP-POS-ced8ea4d-62
0.544
WIL-UNI-354943b6-8
0.544
WIL-UNI-354943b6-14
0.544
BRU-THA-92256091-85
0.544
ALP-POS-305f6ec3-5
0.543
ALP-POS-305f6ec3-49
0.541
ALP-POS-305f6ec3-59
0.541
ALP-POS-e980f4ea-52
0.541
ALP-POS-ced8ea4d-9
0.541
ALP-POS-305f6ec3-56
0.541
BRU-THA-92256091-20
0.540
ALP-UNI-fe744232-14
0.540
BRU-THA-92256091-16
0.540
BRU-THA-92256091-17
0.540
BRU-THA-92256091-14
0.540
ALP-POS-305f6ec3-50
0.540
WIL-UNI-354943b6-9
0.539
ALP-POS-e980f4ea-5
0.536
ALP-POS-e980f4ea-11
0.536
ALP-UNI-fe744232-18
0.536
ALP-POS-e980f4ea-51
0.536
ALP-POS-e980f4ea-12
0.536
ALP-POS-e980f4ea-39
0.536
ALP-POS-ced8ea4d-19
0.536
ALP-UNI-fe744232-9
0.535
WIL-UNI-354943b6-5
0.535
WIL-UNI-354943b6-1
0.534