Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(F)cc12 |
MW: | 257.264 |
Fraction sp3: | 0.13 |
HBA: | 1 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 53.09 |
cLogP: | 3.6483 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
AAR-POS-fca48359-19
0.639
AAR-POS-fca48359-20
0.639
GER-UNI-ec786817-1
0.639
MAK-UNK-0d6072ac-4
0.639
MAK-UNK-0d6072ac-3
0.639
MAK-UNK-0d6072ac-16
0.530
MAK-UNK-0d6072ac-7
0.515
MAK-UNK-0d6072ac-14
0.493
MAK-UNK-0d6072ac-24
0.471
MAK-UNK-0d6072ac-8
0.471
MAK-UNK-0d6072ac-25
0.471
MAK-UNK-0d6072ac-5
0.471
MAK-UNK-0d6072ac-27
0.457
MAK-UNK-0d6072ac-18
0.443
MAK-UNK-0d6072ac-17
0.431
MAK-UNK-0d6072ac-9
0.431
MAK-UNK-0d6072ac-28
0.419
MAK-UNK-0d6072ac-26
0.414
MAK-UNK-0d6072ac-30
0.411
MAK-UNK-10dfa458-28
0.403
MAK-UNK-0d6072ac-29
0.395
MAK-UNK-0d6072ac-22
0.329
MAK-UNK-0d6072ac-11
0.325
MAK-UNK-0d6072ac-10
0.321
SAN-PRS-3c4a6997-5
0.320
AAR-POS-d2a4d1df-2
0.320
ABI-SAT-30e287c1-2
0.311
NAU-LAT-81109c57-1
0.309
ALP-POS-4f3627cc-1
0.304
MAK-UNK-10dfa458-34
0.304
MAK-UNK-0d6072ac-21
0.304
MAT-POS-590ac91e-41
0.301
MAK-UNK-0d6072ac-12
0.300
MAK-UNK-0d6072ac-23
0.299
MAK-UNK-0d6072ac-13
0.299
MAK-UNK-0d6072ac-31
0.293
MAK-UNK-be5ffcbc-8
0.291
MAT-POS-590ac91e-39
0.287
MAK-UNK-0d6072ac-19
0.286
EVA-UNK-a6bd3264-1
0.286
SAN-PRS-3c4a6997-4
0.286
AAR-POS-fca48359-18
0.286
MAK-UNK-0d6072ac-36
0.284
NAU-LAT-81109c57-8
0.280
MAK-UNK-0d6072ac-20
0.278
MAR-TRE-85681e92-60
0.276
MAK-UNK-be5ffcbc-1
0.273
MAK-UNK-0d6072ac-2
0.273
LON-WEI-4d77710c-14
0.272
MAT-POS-b5746674-78
0.272
LON-WEI-5e7d1b3e-14
0.272
MAK-UNK-be5ffcbc-3
0.272
MAK-UNK-0d6072ac-37
0.272
MAK-UNK-0d6072ac-35
0.272
MAK-UNK-0d6072ac-38
0.272
MAT-POS-590ac91e-56
0.269
ALP-UNI-ed5cdfd2-3
0.269
MAT-POS-b5746674-67
0.268
DAR-DIA-eace69ff-36
0.268
MAK-UNK-10dfa458-33
0.265
MAK-UNK-10dfa458-37
0.265
MAK-UNK-0d6072ac-32
0.265
MAR-TRE-4f39ef4a-26
0.264
MAT-POS-590ac91e-33
0.258
MAK-UNK-0d6072ac-33
0.256
MAK-UNK-0d6072ac-34
0.256
SAN-PRS-3c4a6997-3
0.250
MAK-UNK-be5ffcbc-7
0.250
ABI-SAT-30e287c1-1
0.250
MAT-POS-590ac91e-62
0.250
MAT-POS-590ac91e-68
0.250
MAT-POS-590ac91e-40
0.247
MAT-POS-590ac91e-69
0.247
NAU-LAT-81109c57-4
0.247
MAT-POS-590ac91e-59
0.245
MAT-POS-590ac91e-64
0.245
ELE-IMP-dfb36048-6
0.243
MAT-POS-590ac91e-35
0.243
MAT-POS-590ac91e-30
0.242
NAU-LAT-81109c57-2
0.242
MAR-TRE-6a44bbf2-81
0.240
MAT-POS-590ac91e-67
0.240
EDJ-MED-c8e7a002-9
0.239
MAT-POS-590ac91e-48
0.235
MAT-POS-590ac91e-38
0.235
JON-UIO-066ce08b-7
0.235
FRA-LAB-04e32718-1
0.234
MAR-TRE-85681e92-64
0.233
MAR-TRE-7f7bb9f0-83
0.232
MAT-POS-590ac91e-47
0.231
MAK-UNK-10572812-14
0.230
MAR-TRE-92684b97-91
0.230
DEN-EUR-293438d2-1
0.230
MAT-POS-590ac91e-57
0.229
MAK-UNK-10572812-10
0.228
VLA-UNK-c3e99b7a-3
0.226
MAR-TRE-799db12b-79
0.224
JON-UIO-066ce08b-14
0.222
MAK-UNK-10572812-9
0.218
MAT-POS-590ac91e-63
0.218