Molecular Properties | |
SMILES: | Cc1cc([C@@H](C)C(=O)O)cc2[nH]c3ccc(Cl)cc3c12 |
MW: | 287.07 |
Fraction sp3: | 0.19 |
HBA: | 1 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 53.09 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
MAK-UNK-0d6072ac-21
1.000
AAR-POS-fca48359-19
0.471
MAK-UNK-0d6072ac-4
0.471
AAR-POS-fca48359-20
0.471
GER-UNI-ec786817-1
0.471
MAK-UNK-0d6072ac-3
0.471
MAK-UNK-0d6072ac-12
0.466
MAK-UNK-0d6072ac-22
0.444
MAK-UNK-0d6072ac-11
0.419
MAK-UNK-0d6072ac-34
0.413
MAK-UNK-0d6072ac-33
0.413
MAK-UNK-0d6072ac-20
0.405
MAK-UNK-0d6072ac-10
0.395
MAK-UNK-230cdef2-5
0.393
MAK-UNK-0d6072ac-5
0.392
MAK-UNK-0d6072ac-14
0.392
MAK-UNK-0d6072ac-32
0.385
MAK-UNK-0d6072ac-31
0.380
MAK-UNK-0d6072ac-26
0.378
MAK-UNK-0d6072ac-25
0.377
MAK-UNK-0d6072ac-24
0.377
MAK-UNK-10dfa458-28
0.368
MAK-UNK-0d6072ac-18
0.351
MAK-UNK-0d6072ac-8
0.342
MAK-UNK-0d6072ac-17
0.342
MAK-UNK-0d6072ac-23
0.338
MAK-UNK-0d6072ac-13
0.338
MAK-UNK-0d6072ac-16
0.333
MAK-UNK-10dfa458-34
0.325
MAK-UNK-0d6072ac-9
0.325
MAK-UNK-0d6072ac-7
0.325
AAR-POS-fca48359-18
0.325
MAK-UNK-0d6072ac-19
0.325
MAK-UNK-230cdef2-8
0.322
MAK-UNK-10dfa458-37
0.317
MAK-UNK-0d6072ac-28
0.317
MAK-UNK-10dfa458-33
0.317
MAK-UNK-0d6072ac-27
0.312
MAK-UNK-0d6072ac-35
0.309
MAK-UNK-0d6072ac-38
0.309
MAK-UNK-0d6072ac-1
0.304
MAK-UNK-230cdef2-9
0.301
MAK-UNK-0d6072ac-29
0.298
MAK-UNK-0d6072ac-30
0.293
MAR-UCB-195bc32d-11
0.287
MAK-UNK-0d6072ac-2
0.278
GAB-REV-70cc3ca5-16
0.276
SAN-PRS-3c4a6997-1
0.275
MAK-UNK-0d6072ac-36
0.274
MAK-UNK-230cdef2-1
0.264
MAK-UNK-230cdef2-4
0.258
MAT-POS-590ac91e-66
0.258
MAT-POS-590ac91e-42
0.255
MAT-POS-590ac91e-58
0.250
MAK-UNK-0d6072ac-37
0.247
MAT-POS-590ac91e-51
0.245
MAT-POS-590ac91e-43
0.242
MAK-UNK-230cdef2-2
0.242
MAK-UNK-230cdef2-7
0.242
MAT-POS-590ac91e-55
0.240
MAR-TRE-fd17a9b8-32
0.240
TRY-UNI-2eddb1ff-3
0.235
MAT-POS-590ac91e-70
0.230
TRY-UNI-2eddb1ff-5
0.230
JAN-GHE-83b26c96-4
0.230
TRY-UNI-714a760b-18
0.230
JAN-GHE-83b26c96-5
0.230
TRY-UNI-2eddb1ff-4
0.230
MAK-UNK-230cdef2-6
0.229
MAK-UNK-f203cb68-16
0.228
MAR-TRE-92684b97-80
0.226
MAK-UNK-f203cb68-15
0.226
DAR-DIA-eace69ff-37
0.224
EVA-UNK-a6bd3264-1
0.224
MAK-UNK-230cdef2-3
0.222
MAK-UNK-230cdef2-10
0.217
SAM-UNK-2684b532-1
0.215
MAR-TRE-8190bb11-59
0.214
JAN-GHE-83b26c96-9
0.213
WIL-MOD-03b86a88-3
0.213
MAT-POS-590ac91e-53
0.212
MAR-TRE-f5c2d31c-88
0.212
MAR-TRE-a9136c7b-66
0.212
WIL-LEE-1f71e281-3
0.212
MAT-POS-590ac91e-54
0.211
KEI-TRE-d5e2018a-76
0.211
BAR-COM-0f94fc3d-46
0.209
JAN-GHE-83b26c96-10
0.209
MAR-TRE-e86a56b5-20
0.208
MAR-TRE-fffca54f-61
0.208
TRY-UNI-2eddb1ff-8
0.208
ALP-POS-ddb41b15-1
0.207
MAR-TRE-3724962b-1
0.207
SAM-UNK-2684b532-5
0.207
JAN-GHE-83b26c96-3
0.206
LON-WEI-1908424e-9
0.206
MAK-UNK-f203cb68-4
0.206
MAK-UNK-f203cb68-21
0.206
MAR-TRE-fd17a9b8-1
0.206
ASH-SAT-43770c7d-4
0.205